methyl(phenyl)carbamic acid

C8H9NO2 — CID 14170831

IUPACmethyl(phenyl)carbamic acid
SMILESCN(C(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO2/c1-9(8(10)11)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11)
InChIKeyGAUSUDNBBOZKSB-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.80
Rot. Bonds1

About methyl(phenyl)carbamic acid

methyl(phenyl)carbamic acid (PubChem CID 14170831) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is methyl(phenyl)carbamic acid.

Molecular Properties

Compound Namemethyl(phenyl)carbamic acid
PubChem CID14170831
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namemethyl(phenyl)carbamic acid
SMILESCN(C(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO2/c1-9(8(10)11)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11)
InChIKeyGAUSUDNBBOZKSB-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Dimethylaniline
CID 949
N,N-Diethylaniline
CID 7061
Trimethylphenylammonium iodide
CID 94135
Butylacetanilide
CID 7051
2-((1-Methylethyl)phenylamino)-2-oxoacetic acid
CID 155385
Phenyltrimethylammonium chloride
CID 67309
Trimethylphenylammonium hydroxide
CID 15913
Phenyltrimethylammonium bromide
CID 27663
N-Ethyl-N-phenylacetamide
CID 10727
N-Methylacetanilide
CID 11364
N-Methylformanilide
CID 66737
Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)
CID 77880

Frequently Asked Questions

What is the IUPAC name of methyl(phenyl)carbamic acid?
The IUPAC name of methyl(phenyl)carbamic acid (CID 14170831) is methyl(phenyl)carbamic acid.
What is the SMILES notation for methyl(phenyl)carbamic acid?
The canonical SMILES for methyl(phenyl)carbamic acid is CN(C(=O)O)c1ccccc1.
What is the InChIKey of methyl(phenyl)carbamic acid?
The InChIKey is GAUSUDNBBOZKSB-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,10,11).
What are the key properties of methyl(phenyl)carbamic acid?
methyl(phenyl)carbamic acid has a molecular weight of 151.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(phenyl)carbamic acid is sourced from PubChem (CID 14170831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).