1-[(2S)-pentan-2-yl]pyrrolidin-2-one

C9H17NO — CID 102393193

IUPAC1-[(2S)-pentan-2-yl]pyrrolidin-2-one
SMILESCCC[C@H](C)N1CCCC1=O
InChIInChI=1S/C9H17NO/c1-3-5-8(2)10-7-4-6-9(10)11/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyMKVZZJFCNNPNLU-QMMMGPOBSA-N
MW155.24 g/mol
LogP1.80
Rot. Bonds3

About 1-[(2S)-pentan-2-yl]pyrrolidin-2-one

1-[(2S)-pentan-2-yl]pyrrolidin-2-one (PubChem CID 102393193) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(2S)-pentan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-pentan-2-yl]pyrrolidin-2-one
PubChem CID102393193
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(2S)-pentan-2-yl]pyrrolidin-2-one
SMILESCCC[C@H](C)N1CCCC1=O
InChIInChI=1S/C9H17NO/c1-3-5-8(2)10-7-4-6-9(10)11/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyMKVZZJFCNNPNLU-QMMMGPOBSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
1-pentan-2-ylpiperidine-2,6-dione
CID 130638251
1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one
CID 122646586
1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 104550452
1-(1-aminopentan-2-yl)pyrrolidin-2-one
CID 65191937
1-[(3S)-3-(2-oxoazepan-1-yl)butyl]azepan-2-one
CID 139182076
difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one
CID 90986838
5-(2-oxopiperidin-1-yl)hexanoic acid
CID 82847597
amino 2-(2-oxopyrrolidin-1-yl)pentanoate
CID 90161932
1-butan-2-ylazepan-2-one;1-butan-2-yl-2-methylidenepyrrolidine;1-butan-2-ylpiperidin-2-one
CID 158398209
1-decan-3-ylpyrrolidin-2-one
CID 175032444
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-pentan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-pentan-2-yl]pyrrolidin-2-one (CID 102393193) is 1-[(2S)-pentan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-pentan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-pentan-2-yl]pyrrolidin-2-one is CCC[C@H](C)N1CCCC1=O.
What is the InChIKey of 1-[(2S)-pentan-2-yl]pyrrolidin-2-one?
The InChIKey is MKVZZJFCNNPNLU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-8(2)10-7-4-6-9(10)11/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-pentan-2-yl]pyrrolidin-2-one?
1-[(2S)-pentan-2-yl]pyrrolidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-pentan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 102393193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).