(2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone

C13H17NO2 — CID 63218627

IUPAC(2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
SMILESCC1(C)CCCN1C(=O)c1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-13(2)8-3-9-14(13)12(16)10-4-6-11(15)7-5-10/h4-7,15H,3,8-9H2,1-2H3
InChIKeyXQEBXIAEMRTPFJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.41
Rot. Bonds1

About (2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone

(2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone (PubChem CID 63218627) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
PubChem CID63218627
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
SMILESCC1(C)CCCN1C(=O)c1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-13(2)8-3-9-14(13)12(16)10-4-6-11(15)7-5-10/h4-7,15H,3,8-9H2,1-2H3
InChIKeyXQEBXIAEMRTPFJ-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone (CID 63218627) is (2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone is CC1(C)CCCN1C(=O)c1ccc(O)cc1.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is XQEBXIAEMRTPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2)8-3-9-14(13)12(16)10-4-6-11(15)7-5-10/h4-7,15H,3,8-9H2,1-2H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone?
(2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 219.28 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 63218627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).