1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one

C12H21NO — CID 139456004

IUPAC1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one
SMILESC=C1CC(C(C)(CC)CC)C(=O)N1C
InChIInChI=1S/C12H21NO/c1-6-12(4,7-2)10-8-9(3)13(5)11(10)14/h10H,3,6-8H2,1-2,4-5H3
InChIKeyUYVJARXSERLSOP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.80
Rot. Bonds3

About 1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one

1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one (PubChem CID 139456004) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one
PubChem CID139456004
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one
SMILESC=C1CC(C(C)(CC)CC)C(=O)N1C
InChIInChI=1S/C12H21NO/c1-6-12(4,7-2)10-8-9(3)13(5)11(10)14/h10H,3,6-8H2,1-2,4-5H3
InChIKeyUYVJARXSERLSOP-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.80
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-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one (CID 139456004) is 1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one is C=C1CC(C(C)(CC)CC)C(=O)N1C.
What is the InChIKey of 1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one?
The InChIKey is UYVJARXSERLSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-12(4,7-2)10-8-9(3)13(5)11(10)14/h10H,3,6-8H2,1-2,4-5H3.
What are the key properties of 1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one?
1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidene-3-(3-methylpentan-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 139456004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).