4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide

C14H35N3O2 — CID 142081535

IUPAC4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide
SMILESCC.CC.CCCC.NC=O.NCC1CNC(=O)C1
InChIInChI=1S/C5H10N2O.C4H10.2C2H6.CH3NO/c6-2-4-1-5(8)7-3-4;1-3-4-2;2*1-2;2-1-3/h4H,1-3,6H2,(H,7,8);3-4H2,1-2H3;2*1-2H3;1H,(H2,2,3)
InChIKeyLBONHLKTGITMRL-UHFFFAOYSA-N
MW277.45 g/mol
LogP2.04
Rot. Bonds2

About 4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide

4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide (PubChem CID 142081535) has the molecular formula C14H35N3O2 and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide.

Molecular Properties

Compound Name4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide
PubChem CID142081535
Molecular FormulaC14H35N3O2
Molecular Weight277.45 g/mol
Exact Mass277.27
IUPAC Name4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide
SMILESCC.CC.CCCC.NC=O.NCC1CNC(=O)C1
InChIInChI=1S/C5H10N2O.C4H10.2C2H6.CH3NO/c6-2-4-1-5(8)7-3-4;1-3-4-2;2*1-2;2-1-3/h4H,1-3,6H2,(H,7,8);3-4H2,1-2H3;2*1-2H3;1H,(H2,2,3)
InChIKeyLBONHLKTGITMRL-UHFFFAOYSA-N
XLogP2.04
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide 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-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide?
The IUPAC name of 4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide (CID 142081535) is 4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide.
What is the SMILES notation for 4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide?
The canonical SMILES for 4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide is CC.CC.CCCC.NC=O.NCC1CNC(=O)C1.
What is the InChIKey of 4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide?
The InChIKey is LBONHLKTGITMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C4H10.2C2H6.CH3NO/c6-2-4-1-5(8)7-3-4;1-3-4-2;2*1-2;2-1-3/h4H,1-3,6H2,(H,7,8);3-4H2,1-2H3;2*1-2H3;1H,(H2,2,3).
What are the key properties of 4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide?
4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide has a molecular weight of 277.45 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)pyrrolidin-2-one;butane;ethane;formamide is sourced from PubChem (CID 142081535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).