1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one

C15H18N2O — CID 146510260

IUPAC1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CCCCn1c(=C)ccc1=C
InChIInChI=1S/C15H18N2O/c1-12-6-7-13(2)16(12)10-4-5-11-17-14(3)8-9-15(17)18/h6-9H,1-5,10-11H2
InChIKeyQDEJFLCQBXCMFA-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.00
Rot. Bonds5

About 1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one

1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one (PubChem CID 146510260) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one
PubChem CID146510260
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CCCCn1c(=C)ccc1=C
InChIInChI=1S/C15H18N2O/c1-12-6-7-13(2)16(12)10-4-5-11-17-14(3)8-9-15(17)18/h6-9H,1-5,10-11H2
InChIKeyQDEJFLCQBXCMFA-UHFFFAOYSA-N
XLogP1.00
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)-5-methylidenepyrrol-2-one
CID 145076519
1-(4-aminopent-4-enyl)-5-methylidenepyrrol-2-one
CID 144635972
(2S)-2-[methyl-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoyl]amino]propanoic acid
CID 90250747
1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one
CID 167684364
N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide
CID 91000242
1-oct-7-enylpyrrole-2,5-dione
CID 175459396
1-undec-10-enylpyrrole-2,5-dione
CID 86066335
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
1-(14-sulfanyltetradecyl)pyrrole-2,5-dione
CID 173127689
1-(5-iodopentyl)pyrrole-2,5-dione
CID 89213790
1-(13-sulfanyltridecyl)pyrrole-2,5-dione
CID 173127544
1-hexadecylpyrrole-2,5-dione
CID 4526314

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one?
The IUPAC name of 1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one (CID 146510260) is 1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one?
The canonical SMILES for 1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one is C=C1C=CC(=O)N1CCCCn1c(=C)ccc1=C.
What is the InChIKey of 1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one?
The InChIKey is QDEJFLCQBXCMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-6-7-13(2)16(12)10-4-5-11-17-14(3)8-9-15(17)18/h6-9H,1-5,10-11H2.
What are the key properties of 1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one?
1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one has a molecular weight of 242.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one is sourced from PubChem (CID 146510260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).