1-phenylprop-2-enyl carbamate

C10H11NO2 — CID 3056714

IUPAC1-phenylprop-2-enyl carbamate
SMILESC=CC(OC(N)=O)c1ccccc1
InChIInChI=1S/C10H11NO2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h2-7,9H,1H2,(H2,11,12)
InChIKeyHHDPLRHWNKFNAJ-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.01
Rot. Bonds3

About 1-phenylprop-2-enyl carbamate

1-phenylprop-2-enyl carbamate (PubChem CID 3056714) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-phenylprop-2-enyl carbamate.

Molecular Properties

Compound Name1-phenylprop-2-enyl carbamate
PubChem CID3056714
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-phenylprop-2-enyl carbamate
SMILESC=CC(OC(N)=O)c1ccccc1
InChIInChI=1S/C10H11NO2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h2-7,9H,1H2,(H2,11,12)
InChIKeyHHDPLRHWNKFNAJ-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenylprop-2-enyl carbamate?
The IUPAC name of 1-phenylprop-2-enyl carbamate (CID 3056714) is 1-phenylprop-2-enyl carbamate.
What is the SMILES notation for 1-phenylprop-2-enyl carbamate?
The canonical SMILES for 1-phenylprop-2-enyl carbamate is C=CC(OC(N)=O)c1ccccc1.
What is the InChIKey of 1-phenylprop-2-enyl carbamate?
The InChIKey is HHDPLRHWNKFNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h2-7,9H,1H2,(H2,11,12).
What are the key properties of 1-phenylprop-2-enyl carbamate?
1-phenylprop-2-enyl carbamate has a molecular weight of 177.20 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylprop-2-enyl carbamate is sourced from PubChem (CID 3056714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).