2-(azetidin-1-yl)cyclohexan-1-one;benzene

C15H21NO — CID 156803276

IUPAC2-(azetidin-1-yl)cyclohexan-1-one;benzene
SMILESO=C1CCCCC1N1CCC1.c1ccccc1
InChIInChI=1S/C9H15NO.C6H6/c11-9-5-2-1-4-8(9)10-6-3-7-10;1-2-4-6-5-3-1/h8H,1-7H2;1-6H
InChIKeyJLQBUJKPIGRFRM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.89
Rot. Bonds1

About 2-(azetidin-1-yl)cyclohexan-1-one;benzene

2-(azetidin-1-yl)cyclohexan-1-one;benzene (PubChem CID 156803276) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(azetidin-1-yl)cyclohexan-1-one;benzene.

Molecular Properties

Compound Name2-(azetidin-1-yl)cyclohexan-1-one;benzene
PubChem CID156803276
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(azetidin-1-yl)cyclohexan-1-one;benzene
SMILESO=C1CCCCC1N1CCC1.c1ccccc1
InChIInChI=1S/C9H15NO.C6H6/c11-9-5-2-1-4-8(9)10-6-3-7-10;1-2-4-6-5-3-1/h8H,1-7H2;1-6H
InChIKeyJLQBUJKPIGRFRM-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)cyclohexan-1-one;benzene?
The IUPAC name of 2-(azetidin-1-yl)cyclohexan-1-one;benzene (CID 156803276) is 2-(azetidin-1-yl)cyclohexan-1-one;benzene.
What is the SMILES notation for 2-(azetidin-1-yl)cyclohexan-1-one;benzene?
The canonical SMILES for 2-(azetidin-1-yl)cyclohexan-1-one;benzene is O=C1CCCCC1N1CCC1.c1ccccc1.
What is the InChIKey of 2-(azetidin-1-yl)cyclohexan-1-one;benzene?
The InChIKey is JLQBUJKPIGRFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C6H6/c11-9-5-2-1-4-8(9)10-6-3-7-10;1-2-4-6-5-3-1/h8H,1-7H2;1-6H.
What are the key properties of 2-(azetidin-1-yl)cyclohexan-1-one;benzene?
2-(azetidin-1-yl)cyclohexan-1-one;benzene has a molecular weight of 231.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)cyclohexan-1-one;benzene is sourced from PubChem (CID 156803276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).