1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one

C17H21NO — CID 132821455

IUPAC1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one
SMILESC=CC/C(=C(\CC)c1ccccc1)N1CCCC1=O
InChIInChI=1S/C17H21NO/c1-3-9-16(18-13-8-12-17(18)19)15(4-2)14-10-6-5-7-11-14/h3,5-7,10-11H,1,4,8-9,12-13H2,2H3/b16-15-
InChIKeyZETNSYRMECGHSA-NXVVXOECSA-N
MW255.36 g/mol
LogP4.01
Rot. Bonds5

About 1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one

1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one (PubChem CID 132821455) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one
PubChem CID132821455
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one
SMILESC=CC/C(=C(\CC)c1ccccc1)N1CCCC1=O
InChIInChI=1S/C17H21NO/c1-3-9-16(18-13-8-12-17(18)19)15(4-2)14-10-6-5-7-11-14/h3,5-7,10-11H,1,4,8-9,12-13H2,2H3/b16-15-
InChIKeyZETNSYRMECGHSA-NXVVXOECSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one (CID 132821455) is 1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one is C=CC/C(=C(\CC)c1ccccc1)N1CCCC1=O.
What is the InChIKey of 1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one?
The InChIKey is ZETNSYRMECGHSA-NXVVXOECSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-9-16(18-13-8-12-17(18)19)15(4-2)14-10-6-5-7-11-14/h3,5-7,10-11H,1,4,8-9,12-13H2,2H3/b16-15-.
What are the key properties of 1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one?
1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 132821455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).