(3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one

C13H21NO — CID 59969062

IUPAC(3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one
SMILESCC(C)=C(/C=C1/CCN(C)C1=O)C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)12(10(3)4)8-11-6-7-14(5)13(11)15/h8-9H,6-7H2,1-5H3/b11-8-
InChIKeyLZAHBNLUIJZAAN-FLIBITNWSA-N
MW207.32 g/mol
LogP2.77
Rot. Bonds2

About (3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one

(3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one (PubChem CID 59969062) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one
PubChem CID59969062
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one
SMILESCC(C)=C(/C=C1/CCN(C)C1=O)C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)12(10(3)4)8-11-6-7-14(5)13(11)15/h8-9H,6-7H2,1-5H3/b11-8-
InChIKeyLZAHBNLUIJZAAN-FLIBITNWSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one
CID 44561466
Variotin B
CID 170990270
2-Pyrrolidinone, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-
CID 6442887
l-Geranylazacyclopentan-2-one
CID 24875474
1-fluoro-6-methyl-8-propan-2-yl-2,3-dihydro-1H-indolizin-5-one
CID 126608819
1-Fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
CID 126608823
(2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide
CID 142308954
1-[(E)-4-methylpent-2-enoyl]pyrrolidin-2-one
CID 11252348
(3E,4R)-3-(1-chloroethylidene)-4-ethenyl-1-methylpyrrolidin-2-one
CID 134946198
(2E,4E)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-one
CID 134979174
N-(2-fluoroethyl)-N-methyl-4-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide
CID 142309067
(2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide
CID 143348564

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one?
The IUPAC name of (3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one (CID 59969062) is (3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one.
What is the SMILES notation for (3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one?
The canonical SMILES for (3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one is CC(C)=C(/C=C1/CCN(C)C1=O)C(C)C.
What is the InChIKey of (3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one?
The InChIKey is LZAHBNLUIJZAAN-FLIBITNWSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)12(10(3)4)8-11-6-7-14(5)13(11)15/h8-9H,6-7H2,1-5H3/b11-8-.
What are the key properties of (3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one?
(3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one has a molecular weight of 207.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-3-(3-methyl-2-propan-2-ylbut-2-enylidene)pyrrolidin-2-one is sourced from PubChem (CID 59969062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).