(Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one

C20H33NO2 — CID 143401233

IUPAC(Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one
SMILESCCCC1C[C@H]1/C=C\CCCCCC(=O)N1CCC[C@H]1C(C)=O
InChIInChI=1S/C20H33NO2/c1-3-10-17-15-18(17)11-7-5-4-6-8-13-20(23)21-14-9-12-19(21)16(2)22/h7,11,17-19H,3-6,8-10,12-15H2,1-2H3/b11-7-/t17?,18-,19+/m1/s1
InChIKeyIVJXGKQWULWBMK-VWEIZXGESA-N
MW319.49 g/mol
LogP4.51
Rot. Bonds10

About (Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one

(Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one (PubChem CID 143401233) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one.

Molecular Properties

Compound Name(Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one
PubChem CID143401233
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one
SMILESCCCC1C[C@H]1/C=C\CCCCCC(=O)N1CCC[C@H]1C(C)=O
InChIInChI=1S/C20H33NO2/c1-3-10-17-15-18(17)11-7-5-4-6-8-13-20(23)21-14-9-12-19(21)16(2)22/h7,11,17-19H,3-6,8-10,12-15H2,1-2H3/b11-7-/t17?,18-,19+/m1/s1
InChIKeyIVJXGKQWULWBMK-VWEIZXGESA-N
XLogP4.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one 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

(2S)-1-octadec-9-enoylpyrrolidine-2-carboxylic acid
CID 54443907
(2S)-1-[(Z)-octadec-9-enoyl]pyrrolidine-2-carboxylic acid
CID 52922068
methyl (2S)-1-[(Z)-docos-13-enoyl]pyrrolidine-2-carboxylate
CID 70363053
(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]pyrrolidine-2-carboxylic acid
CID 71587491
methyl 1-octadeca-9,12-dienoylpyrrolidine-2-carboxylate
CID 154068139
potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate
CID 177344572
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
CID 160598111
CID 160598111
ethyl formate;N-[(2S)-2-[(Z)-9-(2-methylpyrrolidin-1-yl)-9-oxonon-1-enyl]cyclopropyl]formamide
CID 143402766
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
1-[1-(1-dodecanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 78064271

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one?
The IUPAC name of (Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one (CID 143401233) is (Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one.
What is the SMILES notation for (Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one?
The canonical SMILES for (Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one is CCCC1C[C@H]1/C=C\CCCCCC(=O)N1CCC[C@H]1C(C)=O.
What is the InChIKey of (Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one?
The InChIKey is IVJXGKQWULWBMK-VWEIZXGESA-N. The full InChI is InChI=1S/C20H33NO2/c1-3-10-17-15-18(17)11-7-5-4-6-8-13-20(23)21-14-9-12-19(21)16(2)22/h7,11,17-19H,3-6,8-10,12-15H2,1-2H3/b11-7-/t17?,18-,19+/m1/s1.
What are the key properties of (Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one?
(Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one has a molecular weight of 319.49 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(2S)-2-acetylpyrrolidin-1-yl]-8-[(1R)-2-propylcyclopropyl]oct-7-en-1-one is sourced from PubChem (CID 143401233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).