1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one

C11H18N2O — CID 146619279

IUPAC1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one
SMILESC=C(CCCN)CN1C(=C)CCC1=O
InChIInChI=1S/C11H18N2O/c1-9(4-3-7-12)8-13-10(2)5-6-11(13)14/h1-8,12H2
InChIKeyGCWSDFCZZSSGPG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.42
Rot. Bonds5

About 1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one

1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one (PubChem CID 146619279) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one
PubChem CID146619279
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one
SMILESC=C(CCCN)CN1C(=C)CCC1=O
InChIInChI=1S/C11H18N2O/c1-9(4-3-7-12)8-13-10(2)5-6-11(13)14/h1-8,12H2
InChIKeyGCWSDFCZZSSGPG-UHFFFAOYSA-N
XLogP1.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one?
The IUPAC name of 1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one (CID 146619279) is 1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one is C=C(CCCN)CN1C(=C)CCC1=O.
What is the InChIKey of 1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one?
The InChIKey is GCWSDFCZZSSGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(4-3-7-12)8-13-10(2)5-6-11(13)14/h1-8,12H2.
What are the key properties of 1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one?
1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylidenepentyl)-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 146619279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).