(Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one

C19H31NO2 — CID 143216132

IUPAC(Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one
SMILESCC(=O)[C@H]1CC1/C=C\CCCCCCC(=O)N1CCCC1C
InChIInChI=1S/C19H31NO2/c1-15-10-9-13-20(15)19(22)12-8-6-4-3-5-7-11-17-14-18(17)16(2)21/h7,11,15,17-18H,3-6,8-10,12-14H2,1-2H3/b11-7-/t15?,17?,18-/m1/s1
InChIKeyLZMFUHYITATVJD-JMAKEHMISA-N
MW305.46 g/mol
LogP4.12
Rot. Bonds9

About (Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one

(Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one (PubChem CID 143216132) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one.

Molecular Properties

Compound Name(Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one
PubChem CID143216132
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one
SMILESCC(=O)[C@H]1CC1/C=C\CCCCCCC(=O)N1CCCC1C
InChIInChI=1S/C19H31NO2/c1-15-10-9-13-20(15)19(22)12-8-6-4-3-5-7-11-17-14-18(17)16(2)21/h7,11,15,17-18H,3-6,8-10,12-14H2,1-2H3/b11-7-/t15?,17?,18-/m1/s1
InChIKeyLZMFUHYITATVJD-JMAKEHMISA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.12
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one?
The IUPAC name of (Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one (CID 143216132) is (Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one.
What is the SMILES notation for (Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one?
The canonical SMILES for (Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one is CC(=O)[C@H]1CC1/C=C\CCCCCCC(=O)N1CCCC1C.
What is the InChIKey of (Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one?
The InChIKey is LZMFUHYITATVJD-JMAKEHMISA-N. The full InChI is InChI=1S/C19H31NO2/c1-15-10-9-13-20(15)19(22)12-8-6-4-3-5-7-11-17-14-18(17)16(2)21/h7,11,15,17-18H,3-6,8-10,12-14H2,1-2H3/b11-7-/t15?,17?,18-/m1/s1.
What are the key properties of (Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one?
(Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one has a molecular weight of 305.46 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)non-8-en-1-one is sourced from PubChem (CID 143216132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).