(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one

C15H21NO — CID 86310958

IUPAC(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
SMILESCCC[C@@H](C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3/t14-/m0/s1
InChIKeyYDIIDRWHPFMLGR-AWEZNQCLSA-N
MW231.34 g/mol
LogP3.13
Rot. Bonds5

About (2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one

(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 86310958) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
PubChem CID86310958
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
SMILESCCC[C@@H](C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3/t14-/m0/s1
InChIKeyYDIIDRWHPFMLGR-AWEZNQCLSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
CID 31275145
1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
CID 11515769
carbanide;1-phenyl-2-pyrrolidin-1-ylpentan-1-one;yttrium
CID 147012728
methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
CID 117065161
4-(2-pyrrolidin-1-ylpentanoyl)benzonitrile
CID 11550626
1-(4-prop-1-ynylphenyl)-2-pyrrolidin-1-ylpentan-1-one
CID 11594677
2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one
CID 71721462
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
CID 54599189
2-pyrrolidin-1-yl-1-[4-(1H-pyrrol-2-ylmethyl)phenyl]pentan-1-one
CID 11515772
1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one
CID 63567919
1-phenyl-2-(1,4-thiazepan-4-yl)butan-1-one
CID 62030314
(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one
CID 125181338

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of (2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one (CID 86310958) is (2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for (2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for (2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one is CCC[C@@H](C(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of (2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is YDIIDRWHPFMLGR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 86310958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).