1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone

C15H19NO2 — CID 144853416

IUPAC1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(N2CC(O)C(C3CC3)C2)c1
InChIInChI=1S/C15H19NO2/c1-10(17)12-3-2-4-13(7-12)16-8-14(11-5-6-11)15(18)9-16/h2-4,7,11,14-15,18H,5-6,8-9H2,1H3
InChIKeyBNWYIORNNYYDMB-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.10
Rot. Bonds3

About 1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone

1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone (PubChem CID 144853416) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone
PubChem CID144853416
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(N2CC(O)C(C3CC3)C2)c1
InChIInChI=1S/C15H19NO2/c1-10(17)12-3-2-4-13(7-12)16-8-14(11-5-6-11)15(18)9-16/h2-4,7,11,14-15,18H,5-6,8-9H2,1H3
InChIKeyBNWYIORNNYYDMB-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone
CID 79671280
1-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84785308
1-[3-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanone
CID 76702888
1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84793807
1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone
CID 115025139
methyl 1-(3-acetylphenyl)pyrrolidine-3-carboxylate
CID 117028370
1-(3-acetylphenyl)piperidine-3-carbonitrile
CID 117008107
1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone
CID 117004457
1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]ethanone
CID 79167207
1-[3-[2-(aminomethyl)aziridin-1-yl]phenyl]ethanone
CID 117010112
1-(3-acetylphenyl)-4,4-dimethylpiperidine-3-carbonitrile
CID 117025447
ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate
CID 91526545

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone (CID 144853416) is 1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone is CC(=O)c1cccc(N2CC(O)C(C3CC3)C2)c1.
What is the InChIKey of 1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone?
The InChIKey is BNWYIORNNYYDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(17)12-3-2-4-13(7-12)16-8-14(11-5-6-11)15(18)9-16/h2-4,7,11,14-15,18H,5-6,8-9H2,1H3.
What are the key properties of 1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone?
1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone has a molecular weight of 245.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 144853416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).