1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone

C13H23NO — CID 142882538

IUPAC1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone
SMILESC=C(CC(C)(C)C)N1CCC[C@H]1C(C)=O
InChIInChI=1S/C13H23NO/c1-10(9-13(3,4)5)14-8-6-7-12(14)11(2)15/h12H,1,6-9H2,2-5H3/t12-/m0/s1
InChIKeyFPTZYBPIQMGOOU-LBPRGKRZSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds3

About 1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone

1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone (PubChem CID 142882538) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone
PubChem CID142882538
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone
SMILESC=C(CC(C)(C)C)N1CCC[C@H]1C(C)=O
InChIInChI=1S/C13H23NO/c1-10(9-13(3,4)5)14-8-6-7-12(14)11(2)15/h12H,1,6-9H2,2-5H3/t12-/m0/s1
InChIKeyFPTZYBPIQMGOOU-LBPRGKRZSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone 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-[(2S)-2-acetylpyrrolidin-1-yl]propane-1,2-dione
CID 59063523
1-[(2S)-2-acetylpyrrolidin-1-yl]prop-2-en-1-one
CID 176716114
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 58171936
2-acetyl-N-methylpyrrolidine-1-carboxamide;2,2-dimethylpropane;ethane
CID 145483080
N-[2-(2-acetylpyrrolidin-1-yl)-1-(2,3-dihydro-1H-inden-2-yl)prop-2-enyl]-3,3-dimethylbutanamide
CID 142109984
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
1-(1-acetylpyrrolidin-2-yl)ethanone;ethane;propyl 2,2-dimethylpropanoate
CID 143106212
N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide
CID 171566777
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 10861156

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone (CID 142882538) is 1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone is C=C(CC(C)(C)C)N1CCC[C@H]1C(C)=O.
What is the InChIKey of 1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone?
The InChIKey is FPTZYBPIQMGOOU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(9-13(3,4)5)14-8-6-7-12(14)11(2)15/h12H,1,6-9H2,2-5H3/t12-/m0/s1.
What are the key properties of 1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone?
1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone has a molecular weight of 209.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 142882538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).