4-(propylamino)cyclopent-4-ene-1,3-dione

C8H11NO2 — CID 89392789

IUPAC4-(propylamino)cyclopent-4-ene-1,3-dione
SMILESCCCNC1=CC(=O)CC1=O
InChIInChI=1S/C8H11NO2/c1-2-3-9-7-4-6(10)5-8(7)11/h4,9H,2-3,5H2,1H3
InChIKeyGBUVKCTYWCZEPX-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.41
Rot. Bonds3

About 4-(propylamino)cyclopent-4-ene-1,3-dione

4-(propylamino)cyclopent-4-ene-1,3-dione (PubChem CID 89392789) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(propylamino)cyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name4-(propylamino)cyclopent-4-ene-1,3-dione
PubChem CID89392789
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-(propylamino)cyclopent-4-ene-1,3-dione
SMILESCCCNC1=CC(=O)CC1=O
InChIInChI=1S/C8H11NO2/c1-2-3-9-7-4-6(10)5-8(7)11/h4,9H,2-3,5H2,1H3
InChIKeyGBUVKCTYWCZEPX-UHFFFAOYSA-N
XLogP0.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)cyclopent-4-ene-1,3-dione?
The IUPAC name of 4-(propylamino)cyclopent-4-ene-1,3-dione (CID 89392789) is 4-(propylamino)cyclopent-4-ene-1,3-dione.
What is the SMILES notation for 4-(propylamino)cyclopent-4-ene-1,3-dione?
The canonical SMILES for 4-(propylamino)cyclopent-4-ene-1,3-dione is CCCNC1=CC(=O)CC1=O.
What is the InChIKey of 4-(propylamino)cyclopent-4-ene-1,3-dione?
The InChIKey is GBUVKCTYWCZEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-3-9-7-4-6(10)5-8(7)11/h4,9H,2-3,5H2,1H3.
What are the key properties of 4-(propylamino)cyclopent-4-ene-1,3-dione?
4-(propylamino)cyclopent-4-ene-1,3-dione has a molecular weight of 153.18 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 89392789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).