1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one

C11H19NO — CID 139456290

IUPAC1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(C(C)(C)CC)C(=O)N1C
InChIInChI=1S/C11H19NO/c1-6-11(3,4)9-7-8(2)12(5)10(9)13/h9H,2,6-7H2,1,3-5H3
InChIKeyJTWOKYUUMIMULE-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.41
Rot. Bonds2

About 1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one

1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one (PubChem CID 139456290) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one
PubChem CID139456290
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(C(C)(C)CC)C(=O)N1C
InChIInChI=1S/C11H19NO/c1-6-11(3,4)9-7-8(2)12(5)10(9)13/h9H,2,6-7H2,1,3-5H3
InChIKeyJTWOKYUUMIMULE-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one
CID 166916743
3-Tert-butyl-3-methyl-5-methylidene-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 159689835
1,3-Diethyl-5-methylidenepyrrolidin-2-one
CID 58975945
1,3-Ditert-butyl-5-methylidenepyrrolidin-2-one
CID 59096680
3-Ethenyl-1,3,4,4,5,5-hexamethylpyrrolidin-2-one
CID 59547379
1,3,4,4,5,5-Hexamethyl-3-(2-methylbut-3-en-2-yl)pyrrolidin-2-one
CID 59547384
1,4-Diethyl-5-methylidenepyrrolidin-2-one
CID 59801864
1,4,4-trimethyl-3a,4,5,6-tetrahydro-1H-indol-2(3H)-one
CID 90388765
5-Methylidene-1,3-di(propan-2-yl)pyrrolidin-2-one
CID 117860930
1-Cyclohexyl-3,4-dimethyl-5-methylidenepyrrolidin-2-one
CID 117980006
1-Methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one
CID 118857753
1-Methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one
CID 126589429

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one (CID 139456290) is 1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one is C=C1CC(C(C)(C)CC)C(=O)N1C.
What is the InChIKey of 1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one?
The InChIKey is JTWOKYUUMIMULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-11(3,4)9-7-8(2)12(5)10(9)13/h9H,2,6-7H2,1,3-5H3.
What are the key properties of 1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one?
1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylbutan-2-yl)-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 139456290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).