1,3,4-tri(propan-2-yl)pyrrolidin-2-one

C13H25NO — CID 58977323

IUPAC1,3,4-tri(propan-2-yl)pyrrolidin-2-one
SMILESCC(C)C1CN(C(C)C)C(=O)C1C(C)C
InChIInChI=1S/C13H25NO/c1-8(2)11-7-14(10(5)6)13(15)12(11)9(3)4/h8-12H,7H2,1-6H3
InChIKeyYEBKFGIOPPFQBR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.78
Rot. Bonds3

About 1,3,4-tri(propan-2-yl)pyrrolidin-2-one

1,3,4-tri(propan-2-yl)pyrrolidin-2-one (PubChem CID 58977323) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,3,4-tri(propan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,3,4-tri(propan-2-yl)pyrrolidin-2-one
PubChem CID58977323
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1,3,4-tri(propan-2-yl)pyrrolidin-2-one
SMILESCC(C)C1CN(C(C)C)C(=O)C1C(C)C
InChIInChI=1S/C13H25NO/c1-8(2)11-7-14(10(5)6)13(15)12(11)9(3)4/h8-12H,7H2,1-6H3
InChIKeyYEBKFGIOPPFQBR-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-tri(propan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1,3,4-tri(propan-2-yl)pyrrolidin-2-one (CID 58977323) is 1,3,4-tri(propan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1,3,4-tri(propan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1,3,4-tri(propan-2-yl)pyrrolidin-2-one is CC(C)C1CN(C(C)C)C(=O)C1C(C)C.
What is the InChIKey of 1,3,4-tri(propan-2-yl)pyrrolidin-2-one?
The InChIKey is YEBKFGIOPPFQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-8(2)11-7-14(10(5)6)13(15)12(11)9(3)4/h8-12H,7H2,1-6H3.
What are the key properties of 1,3,4-tri(propan-2-yl)pyrrolidin-2-one?
1,3,4-tri(propan-2-yl)pyrrolidin-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-tri(propan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 58977323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).