2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione

C10H15NO2 — CID 27794743

IUPAC2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione
SMILESC/C(=N\C(C)C)C1C(=O)CCC1=O
InChIInChI=1S/C10H15NO2/c1-6(2)11-7(3)10-8(12)4-5-9(10)13/h6,10H,4-5H2,1-3H3/b11-7+
InChIKeyIEKHEBCYISQKRB-YRNVUSSQSA-N
MW181.24 g/mol
LogP1.40
Rot. Bonds2

About 2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione

2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione (PubChem CID 27794743) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione.

Molecular Properties

Compound Name2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione
PubChem CID27794743
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione
SMILESC/C(=N\C(C)C)C1C(=O)CCC1=O
InChIInChI=1S/C10H15NO2/c1-6(2)11-7(3)10-8(12)4-5-9(10)13/h6,10H,4-5H2,1-3H3/b11-7+
InChIKeyIEKHEBCYISQKRB-YRNVUSSQSA-N
XLogP1.40
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione?
The IUPAC name of 2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione (CID 27794743) is 2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione.
What is the SMILES notation for 2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione?
The canonical SMILES for 2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione is C/C(=N\C(C)C)C1C(=O)CCC1=O.
What is the InChIKey of 2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione?
The InChIKey is IEKHEBCYISQKRB-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6(2)11-7(3)10-8(12)4-5-9(10)13/h6,10H,4-5H2,1-3H3/b11-7+.
What are the key properties of 2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione?
2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione has a molecular weight of 181.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopentane-1,3-dione is sourced from PubChem (CID 27794743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).