1-phenylethyl(prop-2-enyl)carbamic acid

C12H15NO2 — CID 57372880

IUPAC1-phenylethyl(prop-2-enyl)carbamic acid
SMILESC=CCN(C(=O)O)C(C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-9-13(12(14)15)10(2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,14,15)
InChIKeyJLDUSPQFLMEATM-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.91
Rot. Bonds4

About 1-phenylethyl(prop-2-enyl)carbamic acid

1-phenylethyl(prop-2-enyl)carbamic acid (PubChem CID 57372880) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-phenylethyl(prop-2-enyl)carbamic acid.

Molecular Properties

Compound Name1-phenylethyl(prop-2-enyl)carbamic acid
PubChem CID57372880
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-phenylethyl(prop-2-enyl)carbamic acid
SMILESC=CCN(C(=O)O)C(C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-9-13(12(14)15)10(2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,14,15)
InChIKeyJLDUSPQFLMEATM-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethyl(propyl)carbamic acid
CID 57360234
2-chloroethyl(1-phenylethyl)carbamic acid
CID 57362032
N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 101152231
(3S)-3-methyl-4-phenyl-4-[[(1R)-1-phenylethyl]-prop-2-enylamino]butan-2-one
CID 54367902
3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid
CID 70279738
N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline
CID 93477605
(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 42179506
2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 22683784
ethyl (3S)-3-[[(1S)-1-phenylethyl]-prop-2-enylamino]butanoate
CID 11161693
(2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid
CID 151553920
N,N-bis[(1R)-1-phenylethyl]prop-2-enamide
CID 12031722
N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide
CID 11817337

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl(prop-2-enyl)carbamic acid?
The IUPAC name of 1-phenylethyl(prop-2-enyl)carbamic acid (CID 57372880) is 1-phenylethyl(prop-2-enyl)carbamic acid.
What is the SMILES notation for 1-phenylethyl(prop-2-enyl)carbamic acid?
The canonical SMILES for 1-phenylethyl(prop-2-enyl)carbamic acid is C=CCN(C(=O)O)C(C)c1ccccc1.
What is the InChIKey of 1-phenylethyl(prop-2-enyl)carbamic acid?
The InChIKey is JLDUSPQFLMEATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-9-13(12(14)15)10(2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,14,15).
What are the key properties of 1-phenylethyl(prop-2-enyl)carbamic acid?
1-phenylethyl(prop-2-enyl)carbamic acid has a molecular weight of 205.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl(prop-2-enyl)carbamic acid is sourced from PubChem (CID 57372880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).