1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one

C10H15NO2 — CID 142038554

IUPAC1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CCCCCO
InChIInChI=1S/C10H15NO2/c1-9-5-6-10(13)11(9)7-3-2-4-8-12/h5-6,12H,1-4,7-8H2
InChIKeyWEDYTEIYYVLNTM-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.06
Rot. Bonds5

About 1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one

1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one (PubChem CID 142038554) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one
PubChem CID142038554
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CCCCCO
InChIInChI=1S/C10H15NO2/c1-9-5-6-10(13)11(9)7-3-2-4-8-12/h5-6,12H,1-4,7-8H2
InChIKeyWEDYTEIYYVLNTM-UHFFFAOYSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one?
The IUPAC name of 1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one (CID 142038554) is 1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one is C=C1C=CC(=O)N1CCCCCO.
What is the InChIKey of 1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one?
The InChIKey is WEDYTEIYYVLNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-9-5-6-10(13)11(9)7-3-2-4-8-12/h5-6,12H,1-4,7-8H2.
What are the key properties of 1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one?
1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 142038554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).