cyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone

C14H23NO — CID 97096756

IUPACcyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone
SMILESCC[C@H]1CCCCCN1C(=O)C1CC=CC1
InChIInChI=1S/C14H23NO/c1-2-13-10-4-3-7-11-15(13)14(16)12-8-5-6-9-12/h5-6,12-13H,2-4,7-11H2,1H3/t13-/m0/s1
InChIKeyHBRXZCFHDPUSCK-ZDUSSCGKSA-N
MW221.34 g/mol
LogP3.13
Rot. Bonds2

About cyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone

cyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone (PubChem CID 97096756) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone
PubChem CID97096756
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Namecyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone
SMILESCC[C@H]1CCCCCN1C(=O)C1CC=CC1
InChIInChI=1S/C14H23NO/c1-2-13-10-4-3-7-11-15(13)14(16)12-8-5-6-9-12/h5-6,12-13H,2-4,7-11H2,1H3/t13-/m0/s1
InChIKeyHBRXZCFHDPUSCK-ZDUSSCGKSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone (CID 97096756) is cyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone is CC[C@H]1CCCCCN1C(=O)C1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone?
The InChIKey is HBRXZCFHDPUSCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-13-10-4-3-7-11-15(13)14(16)12-8-5-6-9-12/h5-6,12-13H,2-4,7-11H2,1H3/t13-/m0/s1.
What are the key properties of cyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone?
cyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone has a molecular weight of 221.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(2S)-2-ethylazepan-1-yl]methanone is sourced from PubChem (CID 97096756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).