(4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one

C14H16N2O — CID 71576734

IUPAC(4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESC/C=C/c1ccc(C2=NNC(=O)C[C@H]2C)cc1
InChIInChI=1S/C14H16N2O/c1-3-4-11-5-7-12(8-6-11)14-10(2)9-13(17)15-16-14/h3-8,10H,9H2,1-2H3,(H,15,17)/b4-3+/t10-/m1/s1
InChIKeyAFTMMHDTJKGDTO-HMDXOVGESA-N
MW228.30 g/mol
LogP2.58
Rot. Bonds2

About (4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one

(4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 71576734) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID71576734
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESC/C=C/c1ccc(C2=NNC(=O)C[C@H]2C)cc1
InChIInChI=1S/C14H16N2O/c1-3-4-11-5-7-12(8-6-11)14-10(2)9-13(17)15-16-14/h3-8,10H,9H2,1-2H3,(H,15,17)/b4-3+/t10-/m1/s1
InChIKeyAFTMMHDTJKGDTO-HMDXOVGESA-N
XLogP2.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 71576734) is (4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one is C/C=C/c1ccc(C2=NNC(=O)C[C@H]2C)cc1.
What is the InChIKey of (4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is AFTMMHDTJKGDTO-HMDXOVGESA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-4-11-5-7-12(8-6-11)14-10(2)9-13(17)15-16-14/h3-8,10H,9H2,1-2H3,(H,15,17)/b4-3+/t10-/m1/s1.
What are the key properties of (4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
(4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 228.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3-[4-[(E)-prop-1-enyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 71576734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).