1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

C14H24N2O2 — CID 42656794

IUPAC1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)CCN1CC(C(=O)N2CCCC2)CC1=O
InChIInChI=1S/C14H24N2O2/c1-11(2)5-8-16-10-12(9-13(16)17)14(18)15-6-3-4-7-15/h11-12H,3-10H2,1-2H3
InChIKeyYFZIWMXTBITILL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.50
Rot. Bonds4

About 1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 42656794) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID42656794
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)CCN1CC(C(=O)N2CCCC2)CC1=O
InChIInChI=1S/C14H24N2O2/c1-11(2)5-8-16-10-12(9-13(16)17)14(18)15-6-3-4-7-15/h11-12H,3-10H2,1-2H3
InChIKeyYFZIWMXTBITILL-UHFFFAOYSA-N
XLogP1.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 42656794) is 1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is CC(C)CCN1CC(C(=O)N2CCCC2)CC1=O.
What is the InChIKey of 1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is YFZIWMXTBITILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)5-8-16-10-12(9-13(16)17)14(18)15-6-3-4-7-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 42656794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).