5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one

C8H12N2O — CID 123631493

IUPAC5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one
SMILESC/C=C\C1=NC(=O)NCC1C
InChIInChI=1S/C8H12N2O/c1-3-4-7-6(2)5-9-8(11)10-7/h3-4,6H,5H2,1-2H3,(H,9,11)/b4-3-
InChIKeySOZGROHBPTTXKA-ARJAWSKDSA-N
MW152.20 g/mol
LogP1.36
Rot. Bonds1

About 5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one

5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one (PubChem CID 123631493) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one
PubChem CID123631493
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one
SMILESC/C=C\C1=NC(=O)NCC1C
InChIInChI=1S/C8H12N2O/c1-3-4-7-6(2)5-9-8(11)10-7/h3-4,6H,5H2,1-2H3,(H,9,11)/b4-3-
InChIKeySOZGROHBPTTXKA-ARJAWSKDSA-N
XLogP1.36
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 83846628
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CID 83847581

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one (CID 123631493) is 5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one is C/C=C\C1=NC(=O)NCC1C.
What is the InChIKey of 5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one?
The InChIKey is SOZGROHBPTTXKA-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-4-7-6(2)5-9-8(11)10-7/h3-4,6H,5H2,1-2H3,(H,9,11)/b4-3-.
What are the key properties of 5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one?
5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(Z)-prop-1-enyl]-5,6-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 123631493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).