(3-phenylphenyl) N-prop-2-enylcarbamate

C16H15NO2 — CID 24881608

IUPAC(3-phenylphenyl) N-prop-2-enylcarbamate
SMILESC=CCNC(=O)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H15NO2/c1-2-11-17-16(18)19-15-10-6-9-14(12-15)13-7-4-3-5-8-13/h2-10,12H,1,11H2,(H,17,18)
InChIKeyIVZVLOUIEAWCIN-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.63
Rot. Bonds4

About (3-phenylphenyl) N-prop-2-enylcarbamate

(3-phenylphenyl) N-prop-2-enylcarbamate (PubChem CID 24881608) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (3-phenylphenyl) N-prop-2-enylcarbamate.

Molecular Properties

Compound Name(3-phenylphenyl) N-prop-2-enylcarbamate
PubChem CID24881608
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(3-phenylphenyl) N-prop-2-enylcarbamate
SMILESC=CCNC(=O)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H15NO2/c1-2-11-17-16(18)19-15-10-6-9-14(12-15)13-7-4-3-5-8-13/h2-10,12H,1,11H2,(H,17,18)
InChIKeyIVZVLOUIEAWCIN-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.63
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 (3-phenylphenyl) N-prop-2-enylcarbamate?
The IUPAC name of (3-phenylphenyl) N-prop-2-enylcarbamate (CID 24881608) is (3-phenylphenyl) N-prop-2-enylcarbamate.
What is the SMILES notation for (3-phenylphenyl) N-prop-2-enylcarbamate?
The canonical SMILES for (3-phenylphenyl) N-prop-2-enylcarbamate is C=CCNC(=O)Oc1cccc(-c2ccccc2)c1.
What is the InChIKey of (3-phenylphenyl) N-prop-2-enylcarbamate?
The InChIKey is IVZVLOUIEAWCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-11-17-16(18)19-15-10-6-9-14(12-15)13-7-4-3-5-8-13/h2-10,12H,1,11H2,(H,17,18).
What are the key properties of (3-phenylphenyl) N-prop-2-enylcarbamate?
(3-phenylphenyl) N-prop-2-enylcarbamate has a molecular weight of 253.30 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylphenyl) N-prop-2-enylcarbamate is sourced from PubChem (CID 24881608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).