2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C12H16N4O — CID 135412012

IUPAC2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/C2CC=CCC2)n1
InChIInChI=1S/C12H16N4O/c1-9-7-11(17)15-12(14-9)16-13-8-10-5-3-2-4-6-10/h2-3,7-8,10H,4-6H2,1H3,(H2,14,15,16,17)/b13-8+
InChIKeyOSVTXCNZJBPEOQ-MDWZMJQESA-N
MW232.29 g/mol
LogP1.83
Rot. Bonds3

About 2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135412012) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135412012
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/C2CC=CCC2)n1
InChIInChI=1S/C12H16N4O/c1-9-7-11(17)15-12(14-9)16-13-8-10-5-3-2-4-6-10/h2-3,7-8,10H,4-6H2,1H3,(H2,14,15,16,17)/b13-8+
InChIKeyOSVTXCNZJBPEOQ-MDWZMJQESA-N
XLogP1.83
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135412012) is 2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/C2CC=CCC2)n1.
What is the InChIKey of 2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is OSVTXCNZJBPEOQ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-7-11(17)15-12(14-9)16-13-8-10-5-3-2-4-6-10/h2-3,7-8,10H,4-6H2,1H3,(H2,14,15,16,17)/b13-8+.
What are the key properties of 2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 232.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135412012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).