2-phenylethenylcarbamic acid

C9H9NO2 — CID 151881054

IUPAC2-phenylethenylcarbamic acid
SMILESO=C(O)NC=Cc1ccccc1
InChIInChI=1S/C9H9NO2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-7,10H,(H,11,12)
InChIKeySOSMVMHMPJGXIS-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.92
Rot. Bonds2

About 2-phenylethenylcarbamic acid

2-phenylethenylcarbamic acid (PubChem CID 151881054) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-phenylethenylcarbamic acid.

Molecular Properties

Compound Name2-phenylethenylcarbamic acid
PubChem CID151881054
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-phenylethenylcarbamic acid
SMILESO=C(O)NC=Cc1ccccc1
InChIInChI=1S/C9H9NO2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-7,10H,(H,11,12)
InChIKeySOSMVMHMPJGXIS-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

N-(2-phenylethenyl)acetamide
CID 54032077
2-(2-phenylethenylamino)prop-2-enoic acid
CID 57353567
N-(2-phenylethenylcarbamoyl)formamide
CID 174605369
2-fluoro-N-(2-phenylethenyl)acetamide
CID 174418037
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217
1-[(E)-2-phenylethenyl]-3-propylurea
CID 108903089
2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide
CID 144801292
2-methoxy-N-(2-phenylethenyl)acetamide
CID 174718522
1-hydroxy-3-[(E)-2-(4-phenylphenyl)ethenyl]urea
CID 122191260
(2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide
CID 135914517
1-acetyl-N-(2-phenylethenyl)cyclopropane-1-carboxamide
CID 174272158
2-ethoxy-N-(2-phenylethenyl)acetamide
CID 174278279

Frequently Asked Questions

What is the IUPAC name of 2-phenylethenylcarbamic acid?
The IUPAC name of 2-phenylethenylcarbamic acid (CID 151881054) is 2-phenylethenylcarbamic acid.
What is the SMILES notation for 2-phenylethenylcarbamic acid?
The canonical SMILES for 2-phenylethenylcarbamic acid is O=C(O)NC=Cc1ccccc1.
What is the InChIKey of 2-phenylethenylcarbamic acid?
The InChIKey is SOSMVMHMPJGXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-7,10H,(H,11,12).
What are the key properties of 2-phenylethenylcarbamic acid?
2-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 2-phenylethenylcarbamic acid is sourced from PubChem (CID 151881054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).