benzyl N-[1-(cyanomethyl)cyclopropyl]carbamate

C13H14N2O2 — CID 70650702

IUPACbenzyl N-[1-(cyanomethyl)cyclopropyl]carbamate
SMILESN#CCC1(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C13H14N2O2/c14-9-8-13(6-7-13)15-12(16)17-10-11-4-2-1-3-5-11/h1-5H,6-8,10H2,(H,15,16)
InChIKeyWOAQTRXBIOBEKA-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.36
Rot. Bonds4

About benzyl N-[1-(cyanomethyl)cyclopropyl]carbamate

benzyl N-[1-(cyanomethyl)cyclopropyl]carbamate (PubChem CID 70650702) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is benzyl N-[1-(cyanomethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(cyanomethyl)cyclopropyl]carbamate
PubChem CID70650702
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namebenzyl N-[1-(cyanomethyl)cyclopropyl]carbamate
SMILESN#CCC1(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C13H14N2O2/c14-9-8-13(6-7-13)15-12(16)17-10-11-4-2-1-3-5-11/h1-5H,6-8,10H2,(H,15,16)
InChIKeyWOAQTRXBIOBEKA-UHFFFAOYSA-N
XLogP2.36
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(cyanomethyl)cyclopropyl]carbamate?
The IUPAC name of benzyl N-[1-(cyanomethyl)cyclopropyl]carbamate (CID 70650702) is benzyl N-[1-(cyanomethyl)cyclopropyl]carbamate.
What is the SMILES notation for benzyl N-[1-(cyanomethyl)cyclopropyl]carbamate?
The canonical SMILES for benzyl N-[1-(cyanomethyl)cyclopropyl]carbamate is N#CCC1(NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[1-(cyanomethyl)cyclopropyl]carbamate?
The InChIKey is WOAQTRXBIOBEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-9-8-13(6-7-13)15-12(16)17-10-11-4-2-1-3-5-11/h1-5H,6-8,10H2,(H,15,16).
What are the key properties of benzyl N-[1-(cyanomethyl)cyclopropyl]carbamate?
benzyl N-[1-(cyanomethyl)cyclopropyl]carbamate has a molecular weight of 230.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(cyanomethyl)cyclopropyl]carbamate is sourced from PubChem (CID 70650702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).