cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone

C14H23NO — CID 71929830

IUPACcyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)C2CC=CC2)CC1
InChIInChI=1S/C14H23NO/c1-14(2)8-5-10-15(11-9-14)13(16)12-6-3-4-7-12/h3-4,12H,5-11H2,1-2H3
InChIKeyTWOVYFXYKAVREU-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds1

About cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone

cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone (PubChem CID 71929830) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone
PubChem CID71929830
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Namecyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)C2CC=CC2)CC1
InChIInChI=1S/C14H23NO/c1-14(2)8-5-10-15(11-9-14)13(16)12-6-3-4-7-12/h3-4,12H,5-11H2,1-2H3
InChIKeyTWOVYFXYKAVREU-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119803734
2-(4,4-dimethylazepane-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976964
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
(5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897572
(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 103812421
N-cyclobutyl-N-[(4R)-1-(cyclopent-3-ene-1-carbonyl)azepan-4-yl]methanesulfonamide
CID 129331617
(4,4-dimethylazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 79005614
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
(3,3-dimethylpiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 132649427
2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
CID 77064458
N-[7-(cyclopent-3-ene-1-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897154
8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493677

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone (CID 71929830) is cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone is CC1(C)CCCN(C(=O)C2CC=CC2)CC1.
What is the InChIKey of cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone?
The InChIKey is TWOVYFXYKAVREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2)8-5-10-15(11-9-14)13(16)12-6-3-4-7-12/h3-4,12H,5-11H2,1-2H3.
What are the key properties of cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone?
cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone has a molecular weight of 221.34 g/mol, XLogP of 2.99, 1 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-(4,4-dimethylazepan-1-yl)methanone is sourced from PubChem (CID 71929830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).