3-amino-1-(4-methylpentyl)pyrrolidin-2-one

C10H20N2O — CID 63004038

IUPAC3-amino-1-(4-methylpentyl)pyrrolidin-2-one
SMILESCC(C)CCCN1CCC(N)C1=O
InChIInChI=1S/C10H20N2O/c1-8(2)4-3-6-12-7-5-9(11)10(12)13/h8-9H,3-7,11H2,1-2H3
InChIKeyHMGLAJQGVLHIMV-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.98
Rot. Bonds4

About 3-amino-1-(4-methylpentyl)pyrrolidin-2-one

3-amino-1-(4-methylpentyl)pyrrolidin-2-one (PubChem CID 63004038) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-amino-1-(4-methylpentyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(4-methylpentyl)pyrrolidin-2-one
PubChem CID63004038
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-amino-1-(4-methylpentyl)pyrrolidin-2-one
SMILESCC(C)CCCN1CCC(N)C1=O
InChIInChI=1S/C10H20N2O/c1-8(2)4-3-6-12-7-5-9(11)10(12)13/h8-9H,3-7,11H2,1-2H3
InChIKeyHMGLAJQGVLHIMV-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methylpentyl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(4-methylpentyl)pyrrolidin-2-one (CID 63004038) is 3-amino-1-(4-methylpentyl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(4-methylpentyl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(4-methylpentyl)pyrrolidin-2-one is CC(C)CCCN1CCC(N)C1=O.
What is the InChIKey of 3-amino-1-(4-methylpentyl)pyrrolidin-2-one?
The InChIKey is HMGLAJQGVLHIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)4-3-6-12-7-5-9(11)10(12)13/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 3-amino-1-(4-methylpentyl)pyrrolidin-2-one?
3-amino-1-(4-methylpentyl)pyrrolidin-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methylpentyl)pyrrolidin-2-one is sourced from PubChem (CID 63004038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).