(E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione

C15H25NO2 — CID 10514913

IUPAC(E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione
SMILESC/C=C/CCCCC(=O)C(C)C(=O)N1CCCC1
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h3-4,13H,5-12H2,1-2H3/b4-3+
InChIKeyKCEOQGKEPBPKPT-ONEGZZNKSA-N
MW251.37 g/mol
LogP2.95
Rot. Bonds7

About (E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione

(E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione (PubChem CID 10514913) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione.

Molecular Properties

Compound Name(E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione
PubChem CID10514913
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione
SMILESC/C=C/CCCCC(=O)C(C)C(=O)N1CCCC1
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h3-4,13H,5-12H2,1-2H3/b4-3+
InChIKeyKCEOQGKEPBPKPT-ONEGZZNKSA-N
XLogP2.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione
CID 10037813
(E)-1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldec-8-ene-1,3-dione
CID 10800632
(2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione
CID 162898578
(E,2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldec-8-ene-1,3-dione
CID 163025036
(E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione
CID 163047479
N-(2-methyl-3-oxodec-8-enoyl)-2-pyrroline
CID 53954211
4-Prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one
CID 86010840
23-Methyl-tetracos-5,9-dienoic acid, pyrrolidide
CID 91705239
26-Methyl-5,9-heptacosadienoic acid pyrrolidide
CID 574881
15-Methyl-11-hexadecenoic acid pyrrolidide
CID 129724401
N-(20-methyl-5,9-hexacosadienoyl) pyrrolidine
CID 129725684
N-(20-methyl-5,9-docosadienoyl)pyrrolidine
CID 129725804

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione?
The IUPAC name of (E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione (CID 10514913) is (E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione.
What is the SMILES notation for (E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione?
The canonical SMILES for (E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione is C/C=C/CCCCC(=O)C(C)C(=O)N1CCCC1.
What is the InChIKey of (E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione?
The InChIKey is KCEOQGKEPBPKPT-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h3-4,13H,5-12H2,1-2H3/b4-3+.
What are the key properties of (E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione?
(E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione has a molecular weight of 251.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione is sourced from PubChem (CID 10514913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).