2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one

C10H12N2O — CID 90806315

IUPAC2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one
SMILESC/C(=N\C1CC1)c1cc(=O)cc[nH]1
InChIInChI=1S/C10H12N2O/c1-7(12-8-2-3-8)10-6-9(13)4-5-11-10/h4-6,8H,2-3H2,1H3,(H,11,13)/b12-7+
InChIKeyUXICLRQWCMUVNC-KPKJPENVSA-N
MW176.22 g/mol
LogP1.35
Rot. Bonds2

About 2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one

2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one (PubChem CID 90806315) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one
PubChem CID90806315
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one
SMILESC/C(=N\C1CC1)c1cc(=O)cc[nH]1
InChIInChI=1S/C10H12N2O/c1-7(12-8-2-3-8)10-6-9(13)4-5-11-10/h4-6,8H,2-3H2,1H3,(H,11,13)/b12-7+
InChIKeyUXICLRQWCMUVNC-KPKJPENVSA-N
XLogP1.35
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one?
The IUPAC name of 2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one (CID 90806315) is 2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one is C/C(=N\C1CC1)c1cc(=O)cc[nH]1.
What is the InChIKey of 2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one?
The InChIKey is UXICLRQWCMUVNC-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7(12-8-2-3-8)10-6-9(13)4-5-11-10/h4-6,8H,2-3H2,1H3,(H,11,13)/b12-7+.
What are the key properties of 2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one?
2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one has a molecular weight of 176.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one is sourced from PubChem (CID 90806315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).