(3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone

C11H19NO2 — CID 118447919

IUPAC(3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone
SMILESCC1(C)CCN(C(=O)C2CC(O)C2)C1
InChIInChI=1S/C11H19NO2/c1-11(2)3-4-12(7-11)10(14)8-5-9(13)6-8/h8-9,13H,3-7H2,1-2H3
InChIKeyXBFOOQMFANHKCD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.02
Rot. Bonds1

About (3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone

(3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone (PubChem CID 118447919) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone
PubChem CID118447919
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone
SMILESCC1(C)CCN(C(=O)C2CC(O)C2)C1
InChIInChI=1S/C11H19NO2/c1-11(2)3-4-12(7-11)10(14)8-5-9(13)6-8/h8-9,13H,3-7H2,1-2H3
InChIKeyXBFOOQMFANHKCD-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone?
The IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone (CID 118447919) is (3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone.
What is the SMILES notation for (3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone?
The canonical SMILES for (3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone is CC1(C)CCN(C(=O)C2CC(O)C2)C1.
What is the InChIKey of (3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone?
The InChIKey is XBFOOQMFANHKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)3-4-12(7-11)10(14)8-5-9(13)6-8/h8-9,13H,3-7H2,1-2H3.
What are the key properties of (3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone?
(3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone has a molecular weight of 197.28 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone is sourced from PubChem (CID 118447919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).