(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide

C8H14N2O — CID 6993760

IUPAC(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C8H14N2O/c9-10-8(11)7-4-5-1-2-6(7)3-5/h5-7H,1-4,9H2,(H,10,11)/t5-,6-,7+/m0/s1
InChIKeyMPUCEIOQZPZIJZ-LYFYHCNISA-N
MW154.21 g/mol
LogP0.41
Rot. Bonds1

About (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide

(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide (PubChem CID 6993760) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide.

Molecular Properties

Compound Name(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
PubChem CID6993760
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C8H14N2O/c9-10-8(11)7-4-5-1-2-6(7)3-5/h5-7H,1-4,9H2,(H,10,11)/t5-,6-,7+/m0/s1
InChIKeyMPUCEIOQZPZIJZ-LYFYHCNISA-N
XLogP0.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454
N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 10104138
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide
CID 82726517
N-(2-amino-2-sulfanylideneethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61366322
N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365117
(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 19564455
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
bicyclo[2.2.1]heptane-2-carbonyl fluoride
CID 86250124
bicyclo[2.2.1]heptane-2-carboxylic acid;gold
CID 175291828

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide?
The IUPAC name of (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide (CID 6993760) is (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide.
What is the SMILES notation for (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide?
The canonical SMILES for (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide is NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide?
The InChIKey is MPUCEIOQZPZIJZ-LYFYHCNISA-N. The full InChI is InChI=1S/C8H14N2O/c9-10-8(11)7-4-5-1-2-6(7)3-5/h5-7H,1-4,9H2,(H,10,11)/t5-,6-,7+/m0/s1.
What are the key properties of (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide?
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide has a molecular weight of 154.21 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide is sourced from PubChem (CID 6993760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).