(2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

C14H25NO2 — CID 107180395

IUPAC(2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2CCCC2(C)C)C1
InChIInChI=1S/C14H25NO2/c1-4-7-14(17)9-15(10-14)12(16)11-6-5-8-13(11,2)3/h11,17H,4-10H2,1-3H3
InChIKeyAJEUODFTAPHFHW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.19
Rot. Bonds3

About (2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

(2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 107180395) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID107180395
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2CCCC2(C)C)C1
InChIInChI=1S/C14H25NO2/c1-4-7-14(17)9-15(10-14)12(16)11-6-5-8-13(11,2)3/h11,17H,4-10H2,1-3H3
InChIKeyAJEUODFTAPHFHW-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of (2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 107180395) is (2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)C2CCCC2(C)C)C1.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is AJEUODFTAPHFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-7-14(17)9-15(10-14)12(16)11-6-5-8-13(11,2)3/h11,17H,4-10H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
(2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 107180395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).