3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one

C11H22N2O — CID 63925092

IUPAC3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one
SMILESCC(C)CCC(C)N1CCC(N)C1=O
InChIInChI=1S/C11H22N2O/c1-8(2)4-5-9(3)13-7-6-10(12)11(13)14/h8-10H,4-7,12H2,1-3H3
InChIKeyIGPUVZJOYOTEAD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds4

About 3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one

3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one (PubChem CID 63925092) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one
PubChem CID63925092
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one
SMILESCC(C)CCC(C)N1CCC(N)C1=O
InChIInChI=1S/C11H22N2O/c1-8(2)4-5-9(3)13-7-6-10(12)11(13)14/h8-10H,4-7,12H2,1-3H3
InChIKeyIGPUVZJOYOTEAD-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one (CID 63925092) is 3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one is CC(C)CCC(C)N1CCC(N)C1=O.
What is the InChIKey of 3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one?
The InChIKey is IGPUVZJOYOTEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)4-5-9(3)13-7-6-10(12)11(13)14/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one?
3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 63925092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).