(3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one

C12H17NO — CID 172605623

IUPAC(3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one
SMILESC=C/C(=C1\C(=C)CN(C)C1=O)C(C)C
InChIInChI=1S/C12H17NO/c1-6-10(8(2)3)11-9(4)7-13(5)12(11)14/h6,8H,1,4,7H2,2-3,5H3/b11-10-
InChIKeyFJEHIRDAYDCVQH-KHPPLWFESA-N
MW191.27 g/mol
LogP2.15
Rot. Bonds2

About (3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one

(3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one (PubChem CID 172605623) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one.

Molecular Properties

Compound Name(3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one
PubChem CID172605623
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one
SMILESC=C/C(=C1\C(=C)CN(C)C1=O)C(C)C
InChIInChI=1S/C12H17NO/c1-6-10(8(2)3)11-9(4)7-13(5)12(11)14/h6,8H,1,4,7H2,2-3,5H3/b11-10-
InChIKeyFJEHIRDAYDCVQH-KHPPLWFESA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.15
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

(3E)-1-methyl-4-methylidene-3-[(Z)-2-propan-2-ylbut-2-enylidene]pyrrolidin-2-one
CID 145305760
3-ethenyl-1,4-dimethyl-2H-pyrrol-5-one
CID 91071913
2-[(3E,4E)-3-ethylidene-4-(4-methylpent-1-en-3-ylidene)-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide;fluoromethane
CID 163222646
1-methyl-4,5-dimethylidene-1,3-diazinan-2-one
CID 144546085
4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one
CID 54718474
1,5-dimethyl-3-propan-2-yl-6H-furo[3,4-c]pyrrol-4-one
CID 139554620
(3Z)-3-(1-hydroxy-13-methyltetradecylidene)-1-methylpyrrolidine-2,4-dione
CID 54676735
4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one
CID 143990612
5-methylidene-1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 10608523
(2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine
CID 176528561
1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione
CID 130635522
ethane;(3E,4E)-3-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
CID 171627448

Frequently Asked Questions

What is the IUPAC name of (3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one?
The IUPAC name of (3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one (CID 172605623) is (3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one.
What is the SMILES notation for (3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one?
The canonical SMILES for (3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one is C=C/C(=C1\C(=C)CN(C)C1=O)C(C)C.
What is the InChIKey of (3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one?
The InChIKey is FJEHIRDAYDCVQH-KHPPLWFESA-N. The full InChI is InChI=1S/C12H17NO/c1-6-10(8(2)3)11-9(4)7-13(5)12(11)14/h6,8H,1,4,7H2,2-3,5H3/b11-10-.
What are the key properties of (3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one?
(3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-methyl-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyrrolidin-2-one is sourced from PubChem (CID 172605623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).