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

Analyze methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate with MolForge

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

Launch Full Analysis

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).