(1-cyanocyclopropyl)methyl carbamate

C6H8N2O2 — CID 141209968

IUPAC(1-cyanocyclopropyl)methyl carbamate
SMILESN#CC1(COC(N)=O)CC1
InChIInChI=1S/C6H8N2O2/c7-3-6(1-2-6)4-10-5(8)9/h1-2,4H2,(H2,8,9)
InChIKeyFODWLEMWABRKSY-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.39
Rot. Bonds2

About (1-cyanocyclopropyl)methyl carbamate

(1-cyanocyclopropyl)methyl carbamate (PubChem CID 141209968) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is (1-cyanocyclopropyl)methyl carbamate.

Molecular Properties

Compound Name(1-cyanocyclopropyl)methyl carbamate
PubChem CID141209968
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name(1-cyanocyclopropyl)methyl carbamate
SMILESN#CC1(COC(N)=O)CC1
InChIInChI=1S/C6H8N2O2/c7-3-6(1-2-6)4-10-5(8)9/h1-2,4H2,(H2,8,9)
InChIKeyFODWLEMWABRKSY-UHFFFAOYSA-N
XLogP0.39
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(1-cyanocyclopropyl)methyl]-2-hydroxyacetamide
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[1-(trifluoromethyl)cyclopropyl]methyl carbamate
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1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of (1-cyanocyclopropyl)methyl carbamate?
The IUPAC name of (1-cyanocyclopropyl)methyl carbamate (CID 141209968) is (1-cyanocyclopropyl)methyl carbamate.
What is the SMILES notation for (1-cyanocyclopropyl)methyl carbamate?
The canonical SMILES for (1-cyanocyclopropyl)methyl carbamate is N#CC1(COC(N)=O)CC1.
What is the InChIKey of (1-cyanocyclopropyl)methyl carbamate?
The InChIKey is FODWLEMWABRKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-3-6(1-2-6)4-10-5(8)9/h1-2,4H2,(H2,8,9).
What are the key properties of (1-cyanocyclopropyl)methyl carbamate?
(1-cyanocyclopropyl)methyl carbamate has a molecular weight of 140.14 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanocyclopropyl)methyl carbamate is sourced from PubChem (CID 141209968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).