CID 59369479

C9H12N2O — CID 59369479

IUPAC—
SMILES[CH]C1C=C(C(=O)N(C)C)C=NC1
InChIInChI=1S/C9H12N2O/c1-7-4-8(6-10-5-7)9(12)11(2)3/h1,4,6-7H,5H2,2-3H3
InChIKeyFWYWMPQAZONGRV-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.41
Rot. Bonds1

About CID 59369479

CID 59369479 (PubChem CID 59369479) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol.

Molecular Properties

Compound NameCID 59369479
PubChem CID59369479
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name—
SMILES[CH]C1C=C(C(=O)N(C)C)C=NC1
InChIInChI=1S/C9H12N2O/c1-7-4-8(6-10-5-7)9(12)11(2)3/h1,4,6-7H,5H2,2-3H3
InChIKeyFWYWMPQAZONGRV-UHFFFAOYSA-N
XLogP0.41
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59369479?
The IUPAC name of CID 59369479 (CID 59369479) is not available.
What is the SMILES notation for CID 59369479?
The canonical SMILES for CID 59369479 is [CH]C1C=C(C(=O)N(C)C)C=NC1.
What is the InChIKey of CID 59369479?
The InChIKey is FWYWMPQAZONGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-4-8(6-10-5-7)9(12)11(2)3/h1,4,6-7H,5H2,2-3H3.
What are the key properties of CID 59369479?
CID 59369479 has a molecular weight of 164.21 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369479 is sourced from PubChem (CID 59369479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).