(2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

C15H27NO2 — CID 175488794

IUPAC(2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCCC(C)C1CCCCC1C(=O)N1CC(C)(O)C1
InChIInChI=1S/C15H27NO2/c1-4-11(2)12-7-5-6-8-13(12)14(17)16-9-15(3,18)10-16/h11-13,18H,4-10H2,1-3H3
InChIKeyCTQIEWQDLQZMAP-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.43
Rot. Bonds3

About (2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

(2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (PubChem CID 175488794) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
PubChem CID175488794
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCCC(C)C1CCCCC1C(=O)N1CC(C)(O)C1
InChIInChI=1S/C15H27NO2/c1-4-11(2)12-7-5-6-8-13(12)14(17)16-9-15(3,18)10-16/h11-13,18H,4-10H2,1-3H3
InChIKeyCTQIEWQDLQZMAP-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of (2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (CID 175488794) is (2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for (2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is CCC(C)C1CCCCC1C(=O)N1CC(C)(O)C1.
What is the InChIKey of (2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The InChIKey is CTQIEWQDLQZMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-11(2)12-7-5-6-8-13(12)14(17)16-9-15(3,18)10-16/h11-13,18H,4-10H2,1-3H3.
What are the key properties of (2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
(2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-ylcyclohexyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 175488794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).