2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone

C17H23NO2 — CID 110023282

IUPAC2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone
SMILESCC(O)C1CCN(C(=O)C(c2ccccc2)C2CC2)C1
InChIInChI=1S/C17H23NO2/c1-12(19)15-9-10-18(11-15)17(20)16(14-7-8-14)13-5-3-2-4-6-13/h2-6,12,14-16,19H,7-11H2,1H3
InChIKeyIDJZOAVSRVUDLU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.41
Rot. Bonds4

About 2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone

2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 110023282) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone
PubChem CID110023282
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone
SMILESCC(O)C1CCN(C(=O)C(c2ccccc2)C2CC2)C1
InChIInChI=1S/C17H23NO2/c1-12(19)15-9-10-18(11-15)17(20)16(14-7-8-14)13-5-3-2-4-6-13/h2-6,12,14-16,19H,7-11H2,1H3
InChIKeyIDJZOAVSRVUDLU-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 115965924
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-phenylprop-2-yn-1-one
CID 112627474
2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110023755
[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 110022807
N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438235
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
2-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 124878067
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)butan-1-one
CID 110023554
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 115966356

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone (CID 110023282) is 2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone is CC(O)C1CCN(C(=O)C(c2ccccc2)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is IDJZOAVSRVUDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(19)15-9-10-18(11-15)17(20)16(14-7-8-14)13-5-3-2-4-6-13/h2-6,12,14-16,19H,7-11H2,1H3.
What are the key properties of 2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone?
2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 273.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110023282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).