4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one

C12H21NO — CID 79671609

IUPAC4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one
SMILESCC(C)C1CN(C2CCC(=O)CC2)C1
InChIInChI=1S/C12H21NO/c1-9(2)10-7-13(8-10)11-3-5-12(14)6-4-11/h9-11H,3-8H2,1-2H3
InChIKeyGKAGTPIMTNVHBK-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds2

About 4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one

4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one (PubChem CID 79671609) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one
PubChem CID79671609
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one
SMILESCC(C)C1CN(C2CCC(=O)CC2)C1
InChIInChI=1S/C12H21NO/c1-9(2)10-7-13(8-10)11-3-5-12(14)6-4-11/h9-11H,3-8H2,1-2H3
InChIKeyGKAGTPIMTNVHBK-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one?
The IUPAC name of 4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one (CID 79671609) is 4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one?
The canonical SMILES for 4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one is CC(C)C1CN(C2CCC(=O)CC2)C1.
What is the InChIKey of 4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one?
The InChIKey is GKAGTPIMTNVHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)10-7-13(8-10)11-3-5-12(14)6-4-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one?
4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylazetidin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 79671609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).