phenyl N-methylcarbamate

C8H9NO2 — CID 16034

IUPACphenyl N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1
InChIInChI=1S/C8H9NO2/c1-9-8(10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKeySCWKRWCUMCMVPW-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.40
Rot. Bonds1

About phenyl N-methylcarbamate

phenyl N-methylcarbamate (PubChem CID 16034) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is phenyl N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-methylcarbamate
PubChem CID16034
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namephenyl N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1
InChIInChI=1S/C8H9NO2/c1-9-8(10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKeySCWKRWCUMCMVPW-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Propoxur
CID 4944
Fenobucarb
CID 19588
Isoprocarb
CID 17517
Metolcarb
CID 14322
M-Cumenyl Methylcarbamate
CID 6143
m-(1-Methylbutyl)phenyl methylcarbamate
CID 16787
3,5-Xylyl Methylcarbamate
CID 17563
o-Chlorophenyl methylcarbamate
CID 19841
Xylylcarb
CID 17040
M-(1-Ethylpropyl)phenyl methylcarbamate
CID 12643
Mephenate
CID 17491
4-(Ethylthio)phenyl N-methylcarbamate
CID 167753

Frequently Asked Questions

What is the IUPAC name of phenyl N-methylcarbamate?
The IUPAC name of phenyl N-methylcarbamate (CID 16034) is phenyl N-methylcarbamate.
What is the SMILES notation for phenyl N-methylcarbamate?
The canonical SMILES for phenyl N-methylcarbamate is CNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-methylcarbamate?
The InChIKey is SCWKRWCUMCMVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-9-8(10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10).
What are the key properties of phenyl N-methylcarbamate?
phenyl N-methylcarbamate has a molecular weight of 151.16 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methylcarbamate is sourced from PubChem (CID 16034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).