4-amino-1-(7-aminoheptyl)pyrrolidin-2-one

C11H23N3O — CID 168700119

IUPAC4-amino-1-(7-aminoheptyl)pyrrolidin-2-one
SMILESNCCCCCCCN1CC(N)CC1=O
InChIInChI=1S/C11H23N3O/c12-6-4-2-1-3-5-7-14-9-10(13)8-11(14)15/h10H,1-9,12-13H2
InChIKeyJAXKVFUXCZHXRR-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.46
Rot. Bonds7

About 4-amino-1-(7-aminoheptyl)pyrrolidin-2-one

4-amino-1-(7-aminoheptyl)pyrrolidin-2-one (PubChem CID 168700119) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-amino-1-(7-aminoheptyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(7-aminoheptyl)pyrrolidin-2-one
PubChem CID168700119
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-amino-1-(7-aminoheptyl)pyrrolidin-2-one
SMILESNCCCCCCCN1CC(N)CC1=O
InChIInChI=1S/C11H23N3O/c12-6-4-2-1-3-5-7-14-9-10(13)8-11(14)15/h10H,1-9,12-13H2
InChIKeyJAXKVFUXCZHXRR-UHFFFAOYSA-N
XLogP0.46
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-1-(7-aminoheptyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(7-aminoheptyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(7-aminoheptyl)pyrrolidin-2-one (CID 168700119) is 4-amino-1-(7-aminoheptyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(7-aminoheptyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(7-aminoheptyl)pyrrolidin-2-one is NCCCCCCCN1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-(7-aminoheptyl)pyrrolidin-2-one?
The InChIKey is JAXKVFUXCZHXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c12-6-4-2-1-3-5-7-14-9-10(13)8-11(14)15/h10H,1-9,12-13H2.
What are the key properties of 4-amino-1-(7-aminoheptyl)pyrrolidin-2-one?
4-amino-1-(7-aminoheptyl)pyrrolidin-2-one has a molecular weight of 213.32 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(7-aminoheptyl)pyrrolidin-2-one is sourced from PubChem (CID 168700119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).