methyl N-[cyano(cyclohexyl)methyl]carbamate

C10H16N2O2 — CID 61124825

IUPACmethyl N-[cyano(cyclohexyl)methyl]carbamate
SMILESCOC(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C10H16N2O2/c1-14-10(13)12-9(7-11)8-5-3-2-4-6-8/h8-9H,2-6H2,1H3,(H,12,13)
InChIKeyIZEAEUIKDLRKMB-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.81
Rot. Bonds2

About methyl N-[cyano(cyclohexyl)methyl]carbamate

methyl N-[cyano(cyclohexyl)methyl]carbamate (PubChem CID 61124825) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl N-[cyano(cyclohexyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[cyano(cyclohexyl)methyl]carbamate
PubChem CID61124825
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl N-[cyano(cyclohexyl)methyl]carbamate
SMILESCOC(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C10H16N2O2/c1-14-10(13)12-9(7-11)8-5-3-2-4-6-8/h8-9H,2-6H2,1H3,(H,12,13)
InChIKeyIZEAEUIKDLRKMB-UHFFFAOYSA-N
XLogP1.81
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide
CID 55136713
N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309839
N-[cyano(cyclopropyl)methyl]cyclopentanecarboxamide
CID 63821048
N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 71979380
N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide
CID 55048282
N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 65434785
N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208226
N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157343
N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide
CID 170087415
N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide
CID 79155147
N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 61365534
methyl N-(1-cyclohexylprop-2-enyl)carbamate
CID 121221949

Frequently Asked Questions

What is the IUPAC name of methyl N-[cyano(cyclohexyl)methyl]carbamate?
The IUPAC name of methyl N-[cyano(cyclohexyl)methyl]carbamate (CID 61124825) is methyl N-[cyano(cyclohexyl)methyl]carbamate.
What is the SMILES notation for methyl N-[cyano(cyclohexyl)methyl]carbamate?
The canonical SMILES for methyl N-[cyano(cyclohexyl)methyl]carbamate is COC(=O)NC(C#N)C1CCCCC1.
What is the InChIKey of methyl N-[cyano(cyclohexyl)methyl]carbamate?
The InChIKey is IZEAEUIKDLRKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-10(13)12-9(7-11)8-5-3-2-4-6-8/h8-9H,2-6H2,1H3,(H,12,13).
What are the key properties of methyl N-[cyano(cyclohexyl)methyl]carbamate?
methyl N-[cyano(cyclohexyl)methyl]carbamate has a molecular weight of 196.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[cyano(cyclohexyl)methyl]carbamate is sourced from PubChem (CID 61124825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).