4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one

C11H12N2O — CID 137176641

IUPAC4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one
SMILESC=C/C(C)=C\c1c(C=C)nc[nH]c1=O
InChIInChI=1S/C11H12N2O/c1-4-8(3)6-9-10(5-2)12-7-13-11(9)14/h4-7H,1-2H2,3H3,(H,12,13,14)/b8-6-
InChIKeySRVWLAGZCWSHFQ-VURMDHGXSA-N
MW188.23 g/mol
LogP2.00
Rot. Bonds3

About 4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one

4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one (PubChem CID 137176641) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one
PubChem CID137176641
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one
SMILESC=C/C(C)=C\c1c(C=C)nc[nH]c1=O
InChIInChI=1S/C11H12N2O/c1-4-8(3)6-9-10(5-2)12-7-13-11(9)14/h4-7H,1-2H2,3H3,(H,12,13,14)/b8-6-
InChIKeySRVWLAGZCWSHFQ-VURMDHGXSA-N
XLogP2.00
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one (CID 137176641) is 4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one is C=C/C(C)=C\c1c(C=C)nc[nH]c1=O.
What is the InChIKey of 4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one?
The InChIKey is SRVWLAGZCWSHFQ-VURMDHGXSA-N. The full InChI is InChI=1S/C11H12N2O/c1-4-8(3)6-9-10(5-2)12-7-13-11(9)14/h4-7H,1-2H2,3H3,(H,12,13,14)/b8-6-.
What are the key properties of 4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one?
4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one has a molecular weight of 188.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137176641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).