(4-cyanocyclohexyl)methylcarbamic acid

C9H14N2O2 — CID 67500694

IUPAC(4-cyanocyclohexyl)methylcarbamic acid
SMILESN#CC1CCC(CNC(=O)O)CC1
InChIInChI=1S/C9H14N2O2/c10-5-7-1-3-8(4-2-7)6-11-9(12)13/h7-8,11H,1-4,6H2,(H,12,13)
InChIKeyQLMAZAOGXXNUDL-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.58
Rot. Bonds2

About (4-cyanocyclohexyl)methylcarbamic acid

(4-cyanocyclohexyl)methylcarbamic acid (PubChem CID 67500694) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (4-cyanocyclohexyl)methylcarbamic acid.

Molecular Properties

Compound Name(4-cyanocyclohexyl)methylcarbamic acid
PubChem CID67500694
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(4-cyanocyclohexyl)methylcarbamic acid
SMILESN#CC1CCC(CNC(=O)O)CC1
InChIInChI=1S/C9H14N2O2/c10-5-7-1-3-8(4-2-7)6-11-9(12)13/h7-8,11H,1-4,6H2,(H,12,13)
InChIKeyQLMAZAOGXXNUDL-UHFFFAOYSA-N
XLogP1.58
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 166292864
N-[3-[(4-cyanocyclohexyl)methylcarbamoylamino]propyl]-2-methylpropanamide
CID 100712106
(4-methoxycyclohexyl)methylcarbamic acid
CID 23147931
(3aS,6aR)-2-[(4-cyanocyclohexyl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122013257
[4-[(E)-3-chloroprop-1-enyl]cyclohexyl]methylcarbamic acid
CID 141050171
[4-(3-bromopropoxymethyl)cyclohexyl]methylcarbamic acid
CID 141050296
4-cyanocyclohexane-1-carboxylic acid;hydrochloride
CID 70378009
(1-formylpiperidin-4-yl)methylcarbamic acid
CID 156534111
N-[(4-cyanocyclohexyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047914
[1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid
CID 130277576
1-cyano-N-(cyclohexylmethyl)formamide
CID 115172259
4-(aminomethyl)cyclohexane-1-carbonitrile;ethane
CID 171503832

Frequently Asked Questions

What is the IUPAC name of (4-cyanocyclohexyl)methylcarbamic acid?
The IUPAC name of (4-cyanocyclohexyl)methylcarbamic acid (CID 67500694) is (4-cyanocyclohexyl)methylcarbamic acid.
What is the SMILES notation for (4-cyanocyclohexyl)methylcarbamic acid?
The canonical SMILES for (4-cyanocyclohexyl)methylcarbamic acid is N#CC1CCC(CNC(=O)O)CC1.
What is the InChIKey of (4-cyanocyclohexyl)methylcarbamic acid?
The InChIKey is QLMAZAOGXXNUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-5-7-1-3-8(4-2-7)6-11-9(12)13/h7-8,11H,1-4,6H2,(H,12,13).
What are the key properties of (4-cyanocyclohexyl)methylcarbamic acid?
(4-cyanocyclohexyl)methylcarbamic acid has a molecular weight of 182.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanocyclohexyl)methylcarbamic acid is sourced from PubChem (CID 67500694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).