4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione

C8H11NO2 — CID 70522361

IUPAC4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione
SMILESCC1=C(N(C)C)C(=O)CC1=O
InChIInChI=1S/C8H11NO2/c1-5-6(10)4-7(11)8(5)9(2)3/h4H2,1-3H3
InChIKeyMVNYJMDBKMOQIB-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.36
Rot. Bonds1

About 4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione

4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione (PubChem CID 70522361) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione
PubChem CID70522361
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione
SMILESCC1=C(N(C)C)C(=O)CC1=O
InChIInChI=1S/C8H11NO2/c1-5-6(10)4-7(11)8(5)9(2)3/h4H2,1-3H3
InChIKeyMVNYJMDBKMOQIB-UHFFFAOYSA-N
XLogP0.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.36
H-Bond Donors ≤ 50
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-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione?
The IUPAC name of 4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione (CID 70522361) is 4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione.
What is the SMILES notation for 4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione?
The canonical SMILES for 4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione is CC1=C(N(C)C)C(=O)CC1=O.
What is the InChIKey of 4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione?
The InChIKey is MVNYJMDBKMOQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-6(10)4-7(11)8(5)9(2)3/h4H2,1-3H3.
What are the key properties of 4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione?
4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione has a molecular weight of 153.18 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-5-methylcyclopent-4-ene-1,3-dione is sourced from PubChem (CID 70522361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).