4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one

C14H23NO — CID 139566624

IUPAC4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one
SMILESC=C(C)CCCCCN1C(=C)C(C)CC1=O
InChIInChI=1S/C14H23NO/c1-11(2)8-6-5-7-9-15-13(4)12(3)10-14(15)16/h12H,1,4-10H2,2-3H3
InChIKeyOZYHMSOATLTSAY-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.51
Rot. Bonds6

About 4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one

4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one (PubChem CID 139566624) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one
PubChem CID139566624
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one
SMILESC=C(C)CCCCCN1C(=C)C(C)CC1=O
InChIInChI=1S/C14H23NO/c1-11(2)8-6-5-7-9-15-13(4)12(3)10-14(15)16/h12H,1,4-10H2,2-3H3
InChIKeyOZYHMSOATLTSAY-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(3-Methyl-5-methylidene-2-oxopyrrolidin-1-yl)hexanoyl fluoride
CID 145099496
1-Ethyl-3-methyl-5-methylidenepyrrolidin-2-one
CID 18736407
1-(5-Methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
CID 20657016
2-Methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one
CID 20704196
1,3-Dimethyl-5-methylidenepyrrolidin-2-one
CID 21050591
(3S)-1-ethyl-3-(3-methylbut-3-enyl)pyrrolidin-2-one
CID 54259302
1-(5-Methylcyclohexen-1-yl)pyrrolidin-2-one
CID 54531759
1-(2,5-Dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one
CID 58032082
1-[3-[2-(Dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one
CID 58493122
1,3-Diethyl-5-methylidenepyrrolidin-2-one
CID 58975945
1,4-Dimethyl-5-methylidenepyrrolidin-2-one
CID 59591209
5-Methylidene-1-(2-methylpropyl)pyrrolidin-2-one
CID 59657422

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one?
The IUPAC name of 4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one (CID 139566624) is 4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one is C=C(C)CCCCCN1C(=C)C(C)CC1=O.
What is the InChIKey of 4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one?
The InChIKey is OZYHMSOATLTSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)8-6-5-7-9-15-13(4)12(3)10-14(15)16/h12H,1,4-10H2,2-3H3.
What are the key properties of 4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one?
4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(6-methylhept-6-enyl)-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 139566624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).