2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone

C15H19NO — CID 110406993

IUPAC2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESO=C(C(c1ccccc1)C1CC1)N1CCCC1
InChIInChI=1S/C15H19NO/c17-15(16-10-4-5-11-16)14(13-8-9-13)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyGYNXCKBMDIRDHD-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.80
Rot. Bonds3

About 2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone

2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone (PubChem CID 110406993) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
PubChem CID110406993
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESO=C(C(c1ccccc1)C1CC1)N1CCCC1
InChIInChI=1S/C15H19NO/c17-15(16-10-4-5-11-16)14(13-8-9-13)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyGYNXCKBMDIRDHD-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 95543173
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110023282
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 122664615
2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110413880
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone (CID 110406993) is 2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone is O=C(C(c1ccccc1)C1CC1)N1CCCC1.
What is the InChIKey of 2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is GYNXCKBMDIRDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15(16-10-4-5-11-16)14(13-8-9-13)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2.
What are the key properties of 2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone?
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 229.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110406993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).