2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one

C13H20N2O2 — CID 163526522

IUPAC2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one
SMILESC=NCCC(=C)CCCCN1C(=O)C=CC1O
InChIInChI=1S/C13H20N2O2/c1-11(8-9-14-2)5-3-4-10-15-12(16)6-7-13(15)17/h6-7,12,16H,1-5,8-10H2
InChIKeyDPGDQRUJOVJSMC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.52
Rot. Bonds8

About 2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one

2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one (PubChem CID 163526522) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one
PubChem CID163526522
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one
SMILESC=NCCC(=C)CCCCN1C(=O)C=CC1O
InChIInChI=1S/C13H20N2O2/c1-11(8-9-14-2)5-3-4-10-15-12(16)6-7-13(15)17/h6-7,12,16H,1-5,8-10H2
InChIKeyDPGDQRUJOVJSMC-UHFFFAOYSA-N
XLogP1.52
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-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 2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one (CID 163526522) is 2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one is C=NCCC(=C)CCCCN1C(=O)C=CC1O.
What is the InChIKey of 2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one?
The InChIKey is DPGDQRUJOVJSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(8-9-14-2)5-3-4-10-15-12(16)6-7-13(15)17/h6-7,12,16H,1-5,8-10H2.
What are the key properties of 2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one?
2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one has a molecular weight of 236.31 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[5-methylidene-7-(methylideneamino)heptyl]-2H-pyrrol-5-one is sourced from PubChem (CID 163526522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).