2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine

C15H23N — CID 141153074

IUPAC2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine
SMILESCC1(C2C=CC=CC2)CCN1C1CCCC1
InChIInChI=1S/C15H23N/c1-15(13-7-3-2-4-8-13)11-12-16(15)14-9-5-6-10-14/h2-4,7,13-14H,5-6,8-12H2,1H3
InChIKeySLMXTHZRBUYBDA-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.53
Rot. Bonds2

About 2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine

2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine (PubChem CID 141153074) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine
PubChem CID141153074
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine
SMILESCC1(C2C=CC=CC2)CCN1C1CCCC1
InChIInChI=1S/C15H23N/c1-15(13-7-3-2-4-8-13)11-12-16(15)14-9-5-6-10-14/h2-4,7,13-14H,5-6,8-12H2,1H3
InChIKeySLMXTHZRBUYBDA-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene
CID 173375815
3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine
CID 131115710
5-cyclohexa-2,4-dien-1-yl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15532916
4-cyclobutyl-7-methyl-4-azaspiro[2.5]octane
CID 168902465
1-cycloheptyl-2,2-dimethylpiperazine
CID 65460692
tert-butyl 4-cyclohexa-2,4-dien-1-yl-4-(2-oxoethyl)piperidine-1-carboxylate
CID 163837899
(4-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-yl)methanol
CID 105440804
1-cyclohexyl-2,2-dimethyl-1,4-diazepane
CID 82241587
5,5-di(cyclohexa-2,4-dien-1-yl)-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15532931
1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol
CID 117016811
(1Z,3Z)-5,11-dimethylcyclododeca-1,3-diene
CID 144931103
1-cyclobutyl-2,2-dimethylpiperazine
CID 59454526

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine (CID 141153074) is 2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine is CC1(C2C=CC=CC2)CCN1C1CCCC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine?
The InChIKey is SLMXTHZRBUYBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-15(13-7-3-2-4-8-13)11-12-16(15)14-9-5-6-10-14/h2-4,7,13-14H,5-6,8-12H2,1H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine?
2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine has a molecular weight of 217.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-1-cyclopentyl-2-methylazetidine is sourced from PubChem (CID 141153074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).