1-[(3R)-hexan-3-yl]pyrrolidin-2-one

C10H19NO — CID 142812030

IUPAC1-[(3R)-hexan-3-yl]pyrrolidin-2-one
SMILESCCC[C@@H](CC)N1CCCC1=O
InChIInChI=1S/C10H19NO/c1-3-6-9(4-2)11-8-5-7-10(11)12/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyPPDFJSCZDRRXCO-SECBINFHSA-N
MW169.27 g/mol
LogP2.19
Rot. Bonds4

About 1-[(3R)-hexan-3-yl]pyrrolidin-2-one

1-[(3R)-hexan-3-yl]pyrrolidin-2-one (PubChem CID 142812030) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(3R)-hexan-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3R)-hexan-3-yl]pyrrolidin-2-one
PubChem CID142812030
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(3R)-hexan-3-yl]pyrrolidin-2-one
SMILESCCC[C@@H](CC)N1CCCC1=O
InChIInChI=1S/C10H19NO/c1-3-6-9(4-2)11-8-5-7-10(11)12/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyPPDFJSCZDRRXCO-SECBINFHSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-decan-3-ylpyrrolidin-2-one
CID 175032444
1-(1-aminopentan-2-yl)pyrrolidin-2-one
CID 65191937
1-(1-aminobutan-2-yl)pyrrolidin-2-one
CID 15788316
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one
CID 173130930
1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane
CID 142297493
1-hexan-3-yl-1,4-diazepane-2,5-dione
CID 64968950
1-hex-5-en-3-ylpyrrolidin-2-one
CID 66716495
ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one
CID 142030366
amino 2-(2-oxopyrrolidin-1-yl)pentanoate
CID 90161932
4-hexan-3-yl-1,2,4-triazinan-3-one
CID 145049642
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-hexan-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3R)-hexan-3-yl]pyrrolidin-2-one (CID 142812030) is 1-[(3R)-hexan-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3R)-hexan-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3R)-hexan-3-yl]pyrrolidin-2-one is CCC[C@@H](CC)N1CCCC1=O.
What is the InChIKey of 1-[(3R)-hexan-3-yl]pyrrolidin-2-one?
The InChIKey is PPDFJSCZDRRXCO-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-6-9(4-2)11-8-5-7-10(11)12/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(3R)-hexan-3-yl]pyrrolidin-2-one?
1-[(3R)-hexan-3-yl]pyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-hexan-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 142812030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).