1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one

C15H27NO — CID 20657016

IUPAC1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
SMILESC=C(CCC)C(C)CCC(C)N1CCCC1=O
InChIInChI=1S/C15H27NO/c1-5-7-12(2)13(3)9-10-14(4)16-11-6-8-15(16)17/h13-14H,2,5-11H2,1,3-4H3
InChIKeyCRQWZRLDFBWTAN-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.77
Rot. Bonds7

About 1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one

1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one (PubChem CID 20657016) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
PubChem CID20657016
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
SMILESC=C(CCC)C(C)CCC(C)N1CCCC1=O
InChIInChI=1S/C15H27NO/c1-5-7-12(2)13(3)9-10-14(4)16-11-6-8-15(16)17/h13-14H,2,5-11H2,1,3-4H3
InChIKeyCRQWZRLDFBWTAN-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-2-one
CID 146560714
3,5-Bis(ethenyl)-1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidin-2-one
CID 135070598
1-(Cyclohexylmethyl)-4-methylidenepyrrolidin-2-one
CID 138969666
3-Ethenyl-1-hexadecylpyrrolidin-2-one
CID 18402902
1-(5,5-Dimethyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
CID 18710923
(3S)-1-ethyl-3-(3-methylbut-3-enyl)pyrrolidin-2-one
CID 54259302
3-Ethenyl-1-icosylpyrrolidin-2-one
CID 54429226
1-(2,5-Dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one
CID 58032082
1-(1-Acetyl-2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone
CID 59027811
(4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one
CID 59109331
1-(3-Propan-2-ylcyclohex-2-en-1-yl)pyrrolidin-2-one
CID 68051749
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene;1-methylpyrrolidin-2-one
CID 69765163

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one (CID 20657016) is 1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one is C=C(CCC)C(C)CCC(C)N1CCCC1=O.
What is the InChIKey of 1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one?
The InChIKey is CRQWZRLDFBWTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-7-12(2)13(3)9-10-14(4)16-11-6-8-15(16)17/h13-14H,2,5-11H2,1,3-4H3.
What are the key properties of 1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one?
1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 20657016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).