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

C13H23NO — CID 126589429

IUPAC1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(C(C)(CC)CCC)C(=O)N1C
InChIInChI=1S/C13H23NO/c1-6-8-13(4,7-2)11-9-10(3)14(5)12(11)15/h11H,3,6-9H2,1-2,4-5H3
InChIKeyNWXJTEXNWMQQTD-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.19
Rot. Bonds4

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

1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one (PubChem CID 126589429) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one
PubChem CID126589429
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CC(C(C)(CC)CCC)C(=O)N1C
InChIInChI=1S/C13H23NO/c1-6-8-13(4,7-2)11-9-10(3)14(5)12(11)15/h11H,3,6-9H2,1-2,4-5H3
InChIKeyNWXJTEXNWMQQTD-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-Amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
CID 142070789
(3S)-1-ethyl-3-(3-methylbut-3-enyl)pyrrolidin-2-one
CID 54259302
1,3-Ditert-butyl-5-methylidenepyrrolidin-2-one
CID 59096680
1,4-Diethyl-5-methylidenepyrrolidin-2-one
CID 59801864
2-(4,7-Dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one
CID 67135792
2-(4-Methyl-6-methylidenenon-1-en-2-yl)-2-azaspiro[4.5]decan-3-one
CID 67135885
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-Methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one
CID 118857753
3,4-Ditert-butyl-1-methyl-5-methylidenepyrrolidin-2-one
CID 130413118
5-(Dimethylamino)-2-ethyl-4-methyl-1-pyrrolidin-1-ylhex-5-en-1-one
CID 132100522
(3R,4S,5S)-3-ethyl-5-methyl-4-[methyl(4-methylpent-1-en-2-yl)amino]-1-pyrrolidin-1-ylheptan-1-one
CID 132172407

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one (CID 126589429) is 1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one is C=C1CC(C(C)(CC)CCC)C(=O)N1C.
What is the InChIKey of 1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one?
The InChIKey is NWXJTEXNWMQQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-8-13(4,7-2)11-9-10(3)14(5)12(11)15/h11H,3,6-9H2,1-2,4-5H3.
What are the key properties of 1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one?
1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one has a molecular weight of 209.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylhexan-3-yl)-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 126589429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).