1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one

C15H21NO — CID 79546242

IUPAC1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(C)c1ccccc1
InChIInChI=1S/C15H21NO/c1-12(17)11-15-9-6-10-16(15)13(2)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-11H2,1-2H3
InChIKeyMFUYZQVUOHCPSQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.19
Rot. Bonds4

About 1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one

1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79546242) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79546242
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(C)c1ccccc1
InChIInChI=1S/C15H21NO/c1-12(17)11-15-9-6-10-16(15)13(2)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-11H2,1-2H3
InChIKeyMFUYZQVUOHCPSQ-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65068061
2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65067851
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
2-[1-[1-(3-cyanophenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65067951
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one (CID 79546242) is 1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1C(C)c1ccccc1.
What is the InChIKey of 1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is MFUYZQVUOHCPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(17)11-15-9-6-10-16(15)13(2)14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-11H2,1-2H3.
What are the key properties of 1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79546242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).