1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone

C15H19NO2 — CID 110871787

IUPAC1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC1C1CC1
InChIInChI=1S/C15H19NO2/c17-15(11-18-13-5-2-1-3-6-13)16-10-4-7-14(16)12-8-9-12/h1-3,5-6,12,14H,4,7-11H2
InChIKeyFYUFCRIWHLDXAM-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone

1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone (PubChem CID 110871787) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone
PubChem CID110871787
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC1C1CC1
InChIInChI=1S/C15H19NO2/c17-15(11-18-13-5-2-1-3-6-13)16-10-4-7-14(16)12-8-9-12/h1-3,5-6,12,14H,4,7-11H2
InChIKeyFYUFCRIWHLDXAM-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]benzamide
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1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone
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1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 124569777
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
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1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide
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1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-[2-(aminomethyl)phenoxy]ethanone
CID 65319049
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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone?
The IUPAC name of 1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone (CID 110871787) is 1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCC1C1CC1.
What is the InChIKey of 1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone?
The InChIKey is FYUFCRIWHLDXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(11-18-13-5-2-1-3-6-13)16-10-4-7-14(16)12-8-9-12/h1-3,5-6,12,14H,4,7-11H2.
What are the key properties of 1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone?
1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone has a molecular weight of 245.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone is sourced from PubChem (CID 110871787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).