(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide

C17H21NO — CID 785863

IUPAC(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C17H21NO/c19-17(12-11-15-7-3-1-4-8-15)18-14-13-16-9-5-2-6-10-16/h1,3-4,7-9,11-12H,2,5-6,10,13-14H2,(H,18,19)/b12-11+
InChIKeyMCWCQTQSPRJJMM-VAWYXSNFSA-N
MW255.36 g/mol
LogP3.71
Rot. Bonds5

About (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 785863) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID785863
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C17H21NO/c19-17(12-11-15-7-3-1-4-8-15)18-14-13-16-9-5-2-6-10-16/h1,3-4,7-9,11-12H,2,5-6,10,13-14H2,(H,18,19)/b12-11+
InChIKeyMCWCQTQSPRJJMM-VAWYXSNFSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide (CID 785863) is (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCC1=CCCCC1.
What is the InChIKey of (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is MCWCQTQSPRJJMM-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H21NO/c19-17(12-11-15-7-3-1-4-8-15)18-14-13-16-9-5-2-6-10-16/h1,3-4,7-9,11-12H,2,5-6,10,13-14H2,(H,18,19)/b12-11+.
What are the key properties of (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 255.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 785863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).