1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one

C14H22N2O — CID 142459412

IUPAC1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one
SMILESC=C/C=C(\C=C)CCN1CCC(NCC)C1=O
InChIInChI=1S/C14H22N2O/c1-4-7-12(5-2)8-10-16-11-9-13(14(16)17)15-6-3/h4-5,7,13,15H,1-2,6,8-11H2,3H3/b12-7+
InChIKeyADVOAAZLBOVJFZ-KPKJPENVSA-N
MW234.34 g/mol
LogP1.89
Rot. Bonds7

About 1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one

1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one (PubChem CID 142459412) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one
PubChem CID142459412
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one
SMILESC=C/C=C(\C=C)CCN1CCC(NCC)C1=O
InChIInChI=1S/C14H22N2O/c1-4-7-12(5-2)8-10-16-11-9-13(14(16)17)15-6-3/h4-5,7,13,15H,1-2,6,8-11H2,3H3/b12-7+
InChIKeyADVOAAZLBOVJFZ-KPKJPENVSA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one?
The IUPAC name of 1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one (CID 142459412) is 1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one is C=C/C=C(\C=C)CCN1CCC(NCC)C1=O.
What is the InChIKey of 1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one?
The InChIKey is ADVOAAZLBOVJFZ-KPKJPENVSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-7-12(5-2)8-10-16-11-9-13(14(16)17)15-6-3/h4-5,7,13,15H,1-2,6,8-11H2,3H3/b12-7+.
What are the key properties of 1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one?
1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one has a molecular weight of 234.34 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-ethenylhexa-3,5-dienyl]-3-(ethylamino)pyrrolidin-2-one is sourced from PubChem (CID 142459412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).