2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

C15H19N3O3 — CID 56701176

IUPAC2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C15H19N3O3/c1-3-5-12-7-4-6-11(2)18(12)15(21)10-17-14(20)9-8-13(19)16-17/h3-4,6,8-9,11-12H,1,5,7,10H2,2H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyKXEWHOVYPHKTSN-VXGBXAGGSA-N
MW289.33 g/mol
LogP0.66
Rot. Bonds4

About 2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 56701176) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID56701176
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C15H19N3O3/c1-3-5-12-7-4-6-11(2)18(12)15(21)10-17-14(20)9-8-13(19)16-17/h3-4,6,8-9,11-12H,1,5,7,10H2,2H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyKXEWHOVYPHKTSN-VXGBXAGGSA-N
XLogP0.66
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 56701176) is 2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is KXEWHOVYPHKTSN-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-5-12-7-4-6-11(2)18(12)15(21)10-17-14(20)9-8-13(19)16-17/h3-4,6,8-9,11-12H,1,5,7,10H2,2H3,(H,16,19)/t11-,12-/m1/s1.
What are the key properties of 2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 289.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 56701176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).