3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one

C9H13N3O — CID 135779761

IUPAC3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one
SMILESC/C(=N\N)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-5-4-6(2)11-9(13)8(5)7(3)12-10/h4H,10H2,1-3H3,(H,11,13)/b12-7+
InChIKeyDKCBSVNGWPOMOJ-KPKJPENVSA-N
MW179.22 g/mol
LogP0.67
Rot. Bonds1

About 3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one

3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 135779761) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one
PubChem CID135779761
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one
SMILESC/C(=N\N)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-5-4-6(2)11-9(13)8(5)7(3)12-10/h4H,10H2,1-3H3,(H,11,13)/b12-7+
InChIKeyDKCBSVNGWPOMOJ-KPKJPENVSA-N
XLogP0.67
TPSA71.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one (CID 135779761) is 3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one is C/C(=N\N)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of 3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is DKCBSVNGWPOMOJ-KPKJPENVSA-N. The full InChI is InChI=1S/C9H13N3O/c1-5-4-6(2)11-9(13)8(5)7(3)12-10/h4H,10H2,1-3H3,(H,11,13)/b12-7+.
What are the key properties of 3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one?
3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanehydrazonoyl-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 135779761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).