1-phenylethenylcarbamic acid

C9H9NO2 — CID 70424061

IUPAC1-phenylethenylcarbamic acid
SMILESC=C(NC(=O)O)c1ccccc1
InChIInChI=1S/C9H9NO2/c1-7(10-9(11)12)8-5-3-2-4-6-8/h2-6,10H,1H2,(H,11,12)
InChIKeyNRLMCESRXPJERE-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.92
Rot. Bonds2

About 1-phenylethenylcarbamic acid

1-phenylethenylcarbamic acid (PubChem CID 70424061) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-phenylethenylcarbamic acid.

Molecular Properties

Compound Name1-phenylethenylcarbamic acid
PubChem CID70424061
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name1-phenylethenylcarbamic acid
SMILESC=C(NC(=O)O)c1ccccc1
InChIInChI=1S/C9H9NO2/c1-7(10-9(11)12)8-5-3-2-4-6-8/h2-6,10H,1H2,(H,11,12)
InChIKeyNRLMCESRXPJERE-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methane;molecular hydrogen;N-(1-phenylethenyl)acetamide
CID 159750182
2-bromo-N-(1-phenylethenyl)propanamide
CID 57323487
tert-butyl N-(1-phenylethenyl)carbamate
CID 24881759
N-iodo-1-phenylethenamine
CID 147371496
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
Lithium benzoate, 99%
CID 57451198
3-phenylprop-1-en-2-ylcarbamic acid
CID 130423849
3-phenylbut-3-enoic acid
CID 10702134
ethyl 2-(1-phenylethenylamino)acetate
CID 142204564
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
N-hexa-1,3,5-trien-2-ylbenzamide
CID 123631469
ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate
CID 2274410

Frequently Asked Questions

What is the IUPAC name of 1-phenylethenylcarbamic acid?
The IUPAC name of 1-phenylethenylcarbamic acid (CID 70424061) is 1-phenylethenylcarbamic acid.
What is the SMILES notation for 1-phenylethenylcarbamic acid?
The canonical SMILES for 1-phenylethenylcarbamic acid is C=C(NC(=O)O)c1ccccc1.
What is the InChIKey of 1-phenylethenylcarbamic acid?
The InChIKey is NRLMCESRXPJERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-7(10-9(11)12)8-5-3-2-4-6-8/h2-6,10H,1H2,(H,11,12).
What are the key properties of 1-phenylethenylcarbamic acid?
1-phenylethenylcarbamic acid has a molecular weight of 163.18 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethenylcarbamic acid is sourced from PubChem (CID 70424061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).