(Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one

C20H33NO2 — CID 143216109

IUPAC(Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one
SMILESCC(=O)[C@H]1CC1/C=C\CCCCCCCC(=O)N1CCCC1C
InChIInChI=1S/C20H33NO2/c1-16-11-10-14-21(16)20(23)13-9-7-5-3-4-6-8-12-18-15-19(18)17(2)22/h8,12,16,18-19H,3-7,9-11,13-15H2,1-2H3/b12-8-/t16?,18?,19-/m1/s1
InChIKeyRSGGAKDCBYNRCI-NSFQJHCBSA-N
MW319.49 g/mol
LogP4.51
Rot. Bonds10

About (Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one

(Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one (PubChem CID 143216109) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one.

Molecular Properties

Compound Name(Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one
PubChem CID143216109
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one
SMILESCC(=O)[C@H]1CC1/C=C\CCCCCCCC(=O)N1CCCC1C
InChIInChI=1S/C20H33NO2/c1-16-11-10-14-21(16)20(23)13-9-7-5-3-4-6-8-12-18-15-19(18)17(2)22/h8,12,16,18-19H,3-7,9-11,13-15H2,1-2H3/b12-8-/t16?,18?,19-/m1/s1
InChIKeyRSGGAKDCBYNRCI-NSFQJHCBSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one?
The IUPAC name of (Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one (CID 143216109) is (Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one.
What is the SMILES notation for (Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one?
The canonical SMILES for (Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one is CC(=O)[C@H]1CC1/C=C\CCCCCCCC(=O)N1CCCC1C.
What is the InChIKey of (Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one?
The InChIKey is RSGGAKDCBYNRCI-NSFQJHCBSA-N. The full InChI is InChI=1S/C20H33NO2/c1-16-11-10-14-21(16)20(23)13-9-7-5-3-4-6-8-12-18-15-19(18)17(2)22/h8,12,16,18-19H,3-7,9-11,13-15H2,1-2H3/b12-8-/t16?,18?,19-/m1/s1.
What are the key properties of (Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one?
(Z)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-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)-10-[(2S)-2-acetylcyclopropyl]-1-(2-methylpyrrolidin-1-yl)dec-9-en-1-one is sourced from PubChem (CID 143216109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).