4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one

C13H12N2O — CID 137084230

IUPAC4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one
SMILESC=c1cc(C)cc/c1=C/c1cc(=O)[nH]cn1
InChIInChI=1S/C13H12N2O/c1-9-3-4-11(10(2)5-9)6-12-7-13(16)15-8-14-12/h3-8H,2H2,1H3,(H,14,15,16)/b11-6-
InChIKeyIGQMGLRGFHEUBY-WDZFZDKYSA-N
MW212.25 g/mol
LogP0.32
Rot. Bonds1

About 4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one

4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one (PubChem CID 137084230) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one
PubChem CID137084230
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one
SMILESC=c1cc(C)cc/c1=C/c1cc(=O)[nH]cn1
InChIInChI=1S/C13H12N2O/c1-9-3-4-11(10(2)5-9)6-12-7-13(16)15-8-14-12/h3-8H,2H2,1H3,(H,14,15,16)/b11-6-
InChIKeyIGQMGLRGFHEUBY-WDZFZDKYSA-N
XLogP0.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one (CID 137084230) is 4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one is C=c1cc(C)cc/c1=C/c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one?
The InChIKey is IGQMGLRGFHEUBY-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9-3-4-11(10(2)5-9)6-12-7-13(16)15-8-14-12/h3-8H,2H2,1H3,(H,14,15,16)/b11-6-.
What are the key properties of 4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one?
4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137084230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).