[(E)-3-phenylprop-2-enoyl]carbamic acid

C10H9NO3 — CID 140993183

IUPAC[(E)-3-phenylprop-2-enoyl]carbamic acid
SMILESO=C(O)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C10H9NO3/c12-9(11-10(13)14)7-6-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)/b7-6+
InChIKeyBQHQIFDZNJMVFO-VOTSOKGWSA-N
MW191.19 g/mol
LogP1.49
Rot. Bonds2

About [(E)-3-phenylprop-2-enoyl]carbamic acid

[(E)-3-phenylprop-2-enoyl]carbamic acid (PubChem CID 140993183) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enoyl]carbamic acid.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enoyl]carbamic acid
PubChem CID140993183
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name[(E)-3-phenylprop-2-enoyl]carbamic acid
SMILESO=C(O)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C10H9NO3/c12-9(11-10(13)14)7-6-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)/b7-6+
InChIKeyBQHQIFDZNJMVFO-VOTSOKGWSA-N
XLogP1.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
3-oxo-N-[(E)-3-phenylprop-2-enoyl]butanamide
CID 12682099
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049
3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide
CID 57300906
(E)-N-chloro-3-phenylprop-2-enamide
CID 18537372
O-methyl N-(3-phenylprop-2-enoyl)carbamothioate
CID 2826352
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid
CID 155299093
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044
(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide
CID 70157750
3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide
CID 70432340
2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]acetic acid
CID 139082096

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enoyl]carbamic acid?
The IUPAC name of [(E)-3-phenylprop-2-enoyl]carbamic acid (CID 140993183) is [(E)-3-phenylprop-2-enoyl]carbamic acid.
What is the SMILES notation for [(E)-3-phenylprop-2-enoyl]carbamic acid?
The canonical SMILES for [(E)-3-phenylprop-2-enoyl]carbamic acid is O=C(O)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enoyl]carbamic acid?
The InChIKey is BQHQIFDZNJMVFO-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9(11-10(13)14)7-6-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)/b7-6+.
What are the key properties of [(E)-3-phenylprop-2-enoyl]carbamic acid?
[(E)-3-phenylprop-2-enoyl]carbamic acid has a molecular weight of 191.19 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enoyl]carbamic acid is sourced from PubChem (CID 140993183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).