(5-cyano-2-methoxyphenyl)carbamic acid

C9H8N2O3 — CID 91205767

IUPAC(5-cyano-2-methoxyphenyl)carbamic acid
SMILESCOc1ccc(C#N)cc1NC(=O)O
InChIInChI=1S/C9H8N2O3/c1-14-8-3-2-6(5-10)4-7(8)11-9(12)13/h2-4,11H,1H3,(H,12,13)
InChIKeyVDZQVQQYAWDJMR-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.66
Rot. Bonds2

About (5-cyano-2-methoxyphenyl)carbamic acid

(5-cyano-2-methoxyphenyl)carbamic acid (PubChem CID 91205767) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is (5-cyano-2-methoxyphenyl)carbamic acid.

Molecular Properties

Compound Name(5-cyano-2-methoxyphenyl)carbamic acid
PubChem CID91205767
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name(5-cyano-2-methoxyphenyl)carbamic acid
SMILESCOc1ccc(C#N)cc1NC(=O)O
InChIInChI=1S/C9H8N2O3/c1-14-8-3-2-6(5-10)4-7(8)11-9(12)13/h2-4,11H,1H3,(H,12,13)
InChIKeyVDZQVQQYAWDJMR-UHFFFAOYSA-N
XLogP1.66
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyano-2-methoxyphenyl)pyridine-4-carboxamide
CID 49183025
1-[(5-cyano-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078336
N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 49286489
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 41485539
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
CID 2450406
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 49286927
N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 49183275
N-(5-cyano-2-methoxyphenyl)-4-methylazepane-1-carboxamide
CID 49286681
3-(4-cyano-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898981
(E)-N-(5-cyano-2-methoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 49183329

Frequently Asked Questions

What is the IUPAC name of (5-cyano-2-methoxyphenyl)carbamic acid?
The IUPAC name of (5-cyano-2-methoxyphenyl)carbamic acid (CID 91205767) is (5-cyano-2-methoxyphenyl)carbamic acid.
What is the SMILES notation for (5-cyano-2-methoxyphenyl)carbamic acid?
The canonical SMILES for (5-cyano-2-methoxyphenyl)carbamic acid is COc1ccc(C#N)cc1NC(=O)O.
What is the InChIKey of (5-cyano-2-methoxyphenyl)carbamic acid?
The InChIKey is VDZQVQQYAWDJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-8-3-2-6(5-10)4-7(8)11-9(12)13/h2-4,11H,1H3,(H,12,13).
What are the key properties of (5-cyano-2-methoxyphenyl)carbamic acid?
(5-cyano-2-methoxyphenyl)carbamic acid has a molecular weight of 192.17 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-2-methoxyphenyl)carbamic acid is sourced from PubChem (CID 91205767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).