[2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate

C20H30N2O3 — CID 129434383

IUPAC[2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)COC(=O)[C@H]1C[C@H]3CC[C@H]1C3)C2
InChIInChI=1S/C20H30N2O3/c1-19(2)14-6-7-20(19,3)16(10-14)21-22-17(23)11-25-18(24)15-9-12-4-5-13(15)8-12/h12-15H,4-11H2,1-3H3,(H,22,23)/t12-,13-,14-,15-,20+/m0/s1
InChIKeyDXFIBDJJTJDEHK-ZSORPBTDSA-N
MW346.47 g/mol
LogP3.28
Rot. Bonds4

About [2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate

[2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 129434383) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is [2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID129434383
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name[2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)COC(=O)[C@H]1C[C@H]3CC[C@H]1C3)C2
InChIInChI=1S/C20H30N2O3/c1-19(2)14-6-7-20(19,3)16(10-14)21-22-17(23)11-25-18(24)15-9-12-4-5-13(15)8-12/h12-15H,4-11H2,1-3H3,(H,22,23)/t12-,13-,14-,15-,20+/m0/s1
InChIKeyDXFIBDJJTJDEHK-ZSORPBTDSA-N
XLogP3.28
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate with MolForge

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Related Compounds

2-chloro-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 584224
[2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] 4-bromo-1H-pyrrole-2-carboxylate
CID 129434418
[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate
CID 75364388
2-(2-fluorophenoxy)-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 74042000
[2-oxo-2-[(2E)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 55380175
[2-oxo-2-[(2E)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2,4-dimethoxybenzoate
CID 55313948
[2-oxo-2-[(2E)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 3-(2-methoxyphenoxy)propanoate
CID 55317937
2-(3-methylphenoxy)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 9371026
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 76889459
2-(4-methoxyphenyl)-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 23327872
tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate
CID 9372150
2-[[amino(thiophen-3-yl)methylidene]amino]oxy-N-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 129421546

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate (CID 129434383) is [2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate is CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)COC(=O)[C@H]1C[C@H]3CC[C@H]1C3)C2.
What is the InChIKey of [2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is DXFIBDJJTJDEHK-ZSORPBTDSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-19(2)14-6-7-20(19,3)16(10-14)21-22-17(23)11-25-18(24)15-9-12-4-5-13(15)8-12/h12-15H,4-11H2,1-3H3,(H,22,23)/t12-,13-,14-,15-,20+/m0/s1.
What are the key properties of [2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate?
[2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 129434383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).