methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate

C8H12N2O2 — CID 130741851

IUPACmethyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate
SMILESCOC(=O)NC1(C#N)CC1(C)C
InChIInChI=1S/C8H12N2O2/c1-7(2)4-8(7,5-9)10-6(11)12-3/h4H2,1-3H3,(H,10,11)
InChIKeyYNFXRDRHQGDNSM-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.03
Rot. Bonds1

About methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate

methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate (PubChem CID 130741851) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate
PubChem CID130741851
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namemethyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate
SMILESCOC(=O)NC1(C#N)CC1(C)C
InChIInChI=1S/C8H12N2O2/c1-7(2)4-8(7,5-9)10-6(11)12-3/h4H2,1-3H3,(H,10,11)
InChIKeyYNFXRDRHQGDNSM-UHFFFAOYSA-N
XLogP1.03
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-cyano-2,2-difluorocyclopropyl)carbamate
CID 45158925
methyl N-(3-cyanothiolan-3-yl)carbamate
CID 130878721
N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide
CID 136544442
N-(1-cyano-2,2-dimethylcyclopropyl)-5-iodo-2,3-dimethylbenzamide
CID 136544175
methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
dimethyl 5-cyano-2,5-dimethyl-1,2-oxazolidine-3,3-dicarboxylate
CID 602936
methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate
CID 19883846
(1R)-1-amino-2,2-dimethylcyclopropane-1-carbonitrile
CID 14669590
methyl N-[(1S,6S)-6-iodo-1-methylcyclohex-3-en-1-yl]carbamate
CID 90481983
methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate
CID 130007998
[3-(cyanomethyl)-1-bicyclo[1.1.1]pentanyl] N-methylcarbamate
CID 156506793
[3-(methoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamic acid
CID 70854805

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate?
The IUPAC name of methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate (CID 130741851) is methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate.
What is the SMILES notation for methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate?
The canonical SMILES for methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate is COC(=O)NC1(C#N)CC1(C)C.
What is the InChIKey of methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate?
The InChIKey is YNFXRDRHQGDNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7(2)4-8(7,5-9)10-6(11)12-3/h4H2,1-3H3,(H,10,11).
What are the key properties of methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate?
methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate has a molecular weight of 168.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate is sourced from PubChem (CID 130741851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).