[(1R,2R)-2-cyanocyclohexyl]carbamic acid

C8H12N2O2 — CID 89240043

IUPAC[(1R,2R)-2-cyanocyclohexyl]carbamic acid
SMILESN#C[C@@H]1CCCC[C@H]1NC(=O)O
InChIInChI=1S/C8H12N2O2/c9-5-6-3-1-2-4-7(6)10-8(11)12/h6-7,10H,1-4H2,(H,11,12)/t6-,7+/m0/s1
InChIKeySATMLSGQOOGQBP-NKWVEPMBSA-N
MW168.20 g/mol
LogP1.34
Rot. Bonds1

About [(1R,2R)-2-cyanocyclohexyl]carbamic acid

[(1R,2R)-2-cyanocyclohexyl]carbamic acid (PubChem CID 89240043) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is [(1R,2R)-2-cyanocyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R)-2-cyanocyclohexyl]carbamic acid
PubChem CID89240043
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name[(1R,2R)-2-cyanocyclohexyl]carbamic acid
SMILESN#C[C@@H]1CCCC[C@H]1NC(=O)O
InChIInChI=1S/C8H12N2O2/c9-5-6-3-1-2-4-7(6)10-8(11)12/h6-7,10H,1-4H2,(H,11,12)/t6-,7+/m0/s1
InChIKeySATMLSGQOOGQBP-NKWVEPMBSA-N
XLogP1.34
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R,2R)-2-cyanocyclohexyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanocyclopentyl)cyclooctanecarboxamide
CID 65018663
N-[(1R,2R)-2-cyanocyclohexyl]benzamide
CID 10656966
N-(2-cyanocyclopentyl)-2-cyclopentylacetamide
CID 62961621
N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 97121023
N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide
CID 79601921
2-[(2-cyanocyclohexyl)amino]acetamide
CID 62741855
benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate
CID 23636183
5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid
CID 62961989
3-amino-N-(2-cyanocyclopentyl)-3-methylbutanamide
CID 64679356
N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide
CID 114428968
2-bromo-N-(2-cyanocyclopentyl)butanamide
CID 62962905
N-(2-cyanocyclopentyl)-5-methylfuran-2-carboxamide
CID 62961798

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-cyanocyclohexyl]carbamic acid?
The IUPAC name of [(1R,2R)-2-cyanocyclohexyl]carbamic acid (CID 89240043) is [(1R,2R)-2-cyanocyclohexyl]carbamic acid.
What is the SMILES notation for [(1R,2R)-2-cyanocyclohexyl]carbamic acid?
The canonical SMILES for [(1R,2R)-2-cyanocyclohexyl]carbamic acid is N#C[C@@H]1CCCC[C@H]1NC(=O)O.
What is the InChIKey of [(1R,2R)-2-cyanocyclohexyl]carbamic acid?
The InChIKey is SATMLSGQOOGQBP-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-5-6-3-1-2-4-7(6)10-8(11)12/h6-7,10H,1-4H2,(H,11,12)/t6-,7+/m0/s1.
What are the key properties of [(1R,2R)-2-cyanocyclohexyl]carbamic acid?
[(1R,2R)-2-cyanocyclohexyl]carbamic acid has a molecular weight of 168.20 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-cyanocyclohexyl]carbamic acid is sourced from PubChem (CID 89240043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).