1-[4-(methylamino)butyl]pyrrolidin-2-one

C9H18N2O — CID 19006639

IUPAC1-[4-(methylamino)butyl]pyrrolidin-2-one
SMILESCNCCCCN1CCCC1=O
InChIInChI=1S/C9H18N2O/c1-10-6-2-3-7-11-8-4-5-9(11)12/h10H,2-8H2,1H3
InChIKeyMRSHGSLRUZZJFU-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds5

About 1-[4-(methylamino)butyl]pyrrolidin-2-one

1-[4-(methylamino)butyl]pyrrolidin-2-one (PubChem CID 19006639) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[4-(methylamino)butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(methylamino)butyl]pyrrolidin-2-one
PubChem CID19006639
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[4-(methylamino)butyl]pyrrolidin-2-one
SMILESCNCCCCN1CCCC1=O
InChIInChI=1S/C9H18N2O/c1-10-6-2-3-7-11-8-4-5-9(11)12/h10H,2-8H2,1H3
InChIKeyMRSHGSLRUZZJFU-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(methylamino)butyl]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 1-[4-(methylamino)butyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(methylamino)butyl]pyrrolidin-2-one (CID 19006639) is 1-[4-(methylamino)butyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(methylamino)butyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(methylamino)butyl]pyrrolidin-2-one is CNCCCCN1CCCC1=O.
What is the InChIKey of 1-[4-(methylamino)butyl]pyrrolidin-2-one?
The InChIKey is MRSHGSLRUZZJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-6-2-3-7-11-8-4-5-9(11)12/h10H,2-8H2,1H3.
What are the key properties of 1-[4-(methylamino)butyl]pyrrolidin-2-one?
1-[4-(methylamino)butyl]pyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)butyl]pyrrolidin-2-one is sourced from PubChem (CID 19006639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).