(2-cyanophenyl)methyl carbamate

C9H8N2O2 — CID 66644204

IUPAC(2-cyanophenyl)methyl carbamate
SMILESN#Cc1ccccc1COC(N)=O
InChIInChI=1S/C9H8N2O2/c10-5-7-3-1-2-4-8(7)6-13-9(11)12/h1-4H,6H2,(H2,11,12)
InChIKeyNKFHBLSSFBXWCD-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.15
Rot. Bonds2

About (2-cyanophenyl)methyl carbamate

(2-cyanophenyl)methyl carbamate (PubChem CID 66644204) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is (2-cyanophenyl)methyl carbamate.

Molecular Properties

Compound Name(2-cyanophenyl)methyl carbamate
PubChem CID66644204
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name(2-cyanophenyl)methyl carbamate
SMILESN#Cc1ccccc1COC(N)=O
InChIInChI=1S/C9H8N2O2/c10-5-7-3-1-2-4-8(7)6-13-9(11)12/h1-4H,6H2,(H2,11,12)
InChIKeyNKFHBLSSFBXWCD-UHFFFAOYSA-N
XLogP1.15
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(carbamoyloxymethyl)phenyl]methyl carbamate
CID 23175354
(2-cyanophenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate
CID 7531551
(2-cyanophenyl)methyl 2,6-dimethoxybenzoate
CID 4784820
2-[3-(2-cyanophenyl)-2-oxopropyl]benzonitrile
CID 13459099
(2-cyanophenyl)methyl 2-methoxybenzoate
CID 2640366
(2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate
CID 61321397
(2-cyanophenyl)methyl 2-benzamidopropanoate
CID 42898245
2-bromo-3-(2-cyanophenyl)propanamide
CID 104513026
(2-cyanophenyl)methyl 2-amino-6-methoxybenzoate
CID 81396523
(2-cyanophenyl)methyl 2-amino-5-chlorobenzoate
CID 60643327
(2-cyanophenyl)methyl 2-(4-chlorobenzoyl)benzoate
CID 2640388
(2-cyanophenyl)methyl 2-amino-4-fluorobenzoate
CID 115578116

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl carbamate?
The IUPAC name of (2-cyanophenyl)methyl carbamate (CID 66644204) is (2-cyanophenyl)methyl carbamate.
What is the SMILES notation for (2-cyanophenyl)methyl carbamate?
The canonical SMILES for (2-cyanophenyl)methyl carbamate is N#Cc1ccccc1COC(N)=O.
What is the InChIKey of (2-cyanophenyl)methyl carbamate?
The InChIKey is NKFHBLSSFBXWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-5-7-3-1-2-4-8(7)6-13-9(11)12/h1-4H,6H2,(H2,11,12).
What are the key properties of (2-cyanophenyl)methyl carbamate?
(2-cyanophenyl)methyl carbamate has a molecular weight of 176.17 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methyl carbamate is sourced from PubChem (CID 66644204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).