1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one

C12H17NO — CID 143082085

IUPAC1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one
SMILESC=C(/C=C\C(=C)N1CCCC1=O)CC
InChIInChI=1S/C12H17NO/c1-4-10(2)7-8-11(3)13-9-5-6-12(13)14/h7-8H,2-6,9H2,1H3/b8-7-
InChIKeyAWQOTLUHCYKWKC-FPLPWBNLSA-N
MW191.27 g/mol
LogP2.64
Rot. Bonds4

About 1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one

1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one (PubChem CID 143082085) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one
PubChem CID143082085
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one
SMILESC=C(/C=C\C(=C)N1CCCC1=O)CC
InChIInChI=1S/C12H17NO/c1-4-10(2)7-8-11(3)13-9-5-6-12(13)14/h7-8H,2-6,9H2,1H3/b8-7-
InChIKeyAWQOTLUHCYKWKC-FPLPWBNLSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one (CID 143082085) is 1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one is C=C(/C=C\C(=C)N1CCCC1=O)CC.
What is the InChIKey of 1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one?
The InChIKey is AWQOTLUHCYKWKC-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-10(2)7-8-11(3)13-9-5-6-12(13)14/h7-8H,2-6,9H2,1H3/b8-7-.
What are the key properties of 1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one?
1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 143082085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).