formic acid;methyl(phenyl)carbamic acid

C9H11NO4 — CID 161284118

IUPACformic acid;methyl(phenyl)carbamic acid
SMILESCN(C(=O)O)c1ccccc1.O=CO
InChIInChI=1S/C8H9NO2.CH2O2/c1-9(8(10)11)7-5-3-2-4-6-7;2-1-3/h2-6H,1H3,(H,10,11);1H,(H,2,3)
InChIKeyVFMHWIOZPSKMLP-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.50
Rot. Bonds1

About formic acid;methyl(phenyl)carbamic acid

formic acid;methyl(phenyl)carbamic acid (PubChem CID 161284118) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is formic acid;methyl(phenyl)carbamic acid.

Molecular Properties

Compound Nameformic acid;methyl(phenyl)carbamic acid
PubChem CID161284118
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Nameformic acid;methyl(phenyl)carbamic acid
SMILESCN(C(=O)O)c1ccccc1.O=CO
InChIInChI=1S/C8H9NO2.CH2O2/c1-9(8(10)11)7-5-3-2-4-6-7;2-1-3/h2-6H,1H3,(H,10,11);1H,(H,2,3)
InChIKeyVFMHWIOZPSKMLP-UHFFFAOYSA-N
XLogP1.50
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-ethenyl-1-methyl-1-phenylurea
CID 108909168
2-(N-methylanilino)prop-2-enal
CID 88506227
methyl(pyridin-4-yl)carbamic acid
CID 54205463
1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea
CID 108909905
(E)-N,2-dimethyl-N-phenylbut-2-enamide
CID 10867125
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
1,3-dimethyl-1-phenyl-3-sulfanylurea
CID 88793984
N-methyl-N-phenylbuta-2,3-dienamide
CID 12773177
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
1-methyl-1-phenyl-3,3-dipropylurea
CID 20524964
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803

Frequently Asked Questions

What is the IUPAC name of formic acid;methyl(phenyl)carbamic acid?
The IUPAC name of formic acid;methyl(phenyl)carbamic acid (CID 161284118) is formic acid;methyl(phenyl)carbamic acid.
What is the SMILES notation for formic acid;methyl(phenyl)carbamic acid?
The canonical SMILES for formic acid;methyl(phenyl)carbamic acid is CN(C(=O)O)c1ccccc1.O=CO.
What is the InChIKey of formic acid;methyl(phenyl)carbamic acid?
The InChIKey is VFMHWIOZPSKMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.CH2O2/c1-9(8(10)11)7-5-3-2-4-6-7;2-1-3/h2-6H,1H3,(H,10,11);1H,(H,2,3).
What are the key properties of formic acid;methyl(phenyl)carbamic acid?
formic acid;methyl(phenyl)carbamic acid has a molecular weight of 197.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;methyl(phenyl)carbamic acid is sourced from PubChem (CID 161284118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).