N'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide

C19H26N2O2 — CID 98290828

IUPACN'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C19H26N2O2/c22-17(16-7-11-1-2-15(16)6-11)20-21-18(23)19-8-12-3-13(9-19)5-14(4-12)10-19/h1-2,11-16H,3-10H2,(H,20,22)(H,21,23)/t11-,12?,13?,14?,15-,16-,19?/m0/s1
InChIKeyJQJHAIVLIRQJJT-KHILYKJASA-N
MW314.43 g/mol
LogP2.56
Rot. Bonds2

About N'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide

N'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide (PubChem CID 98290828) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide
PubChem CID98290828
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C19H26N2O2/c22-17(16-7-11-1-2-15(16)6-11)20-21-18(23)19-8-12-3-13(9-19)5-14(4-12)10-19/h1-2,11-16H,3-10H2,(H,20,22)(H,21,23)/t11-,12?,13?,14?,15-,16-,19?/m0/s1
InChIKeyJQJHAIVLIRQJJT-KHILYKJASA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide?
The IUPAC name of N'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide (CID 98290828) is N'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide.
What is the SMILES notation for N'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide?
The canonical SMILES for N'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of N'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide?
The InChIKey is JQJHAIVLIRQJJT-KHILYKJASA-N. The full InChI is InChI=1S/C19H26N2O2/c22-17(16-7-11-1-2-15(16)6-11)20-21-18(23)19-8-12-3-13(9-19)5-14(4-12)10-19/h1-2,11-16H,3-10H2,(H,20,22)(H,21,23)/t11-,12?,13?,14?,15-,16-,19?/m0/s1.
What are the key properties of N'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide?
N'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide has a molecular weight of 314.43 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]adamantane-1-carbohydrazide is sourced from PubChem (CID 98290828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).