(2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one

C19H19NO2 — CID 146683004

IUPAC(2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one
SMILESC/C=C(\C)[C@@H]1Oc2c(-c3ccccc3)c[nH]c(=O)c2C=C1C
InChIInChI=1S/C19H19NO2/c1-4-12(2)17-13(3)10-15-18(22-17)16(11-20-19(15)21)14-8-6-5-7-9-14/h4-11,17H,1-3H3,(H,20,21)/b12-4+/t17-/m0/s1
InChIKeyUQPOSFKRDWKFBK-XAANGBPESA-N
MW293.37 g/mol
LogP4.17
Rot. Bonds2

About (2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one

(2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one (PubChem CID 146683004) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one.

Molecular Properties

Compound Name(2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one
PubChem CID146683004
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one
SMILESC/C=C(\C)[C@@H]1Oc2c(-c3ccccc3)c[nH]c(=O)c2C=C1C
InChIInChI=1S/C19H19NO2/c1-4-12(2)17-13(3)10-15-18(22-17)16(11-20-19(15)21)14-8-6-5-7-9-14/h4-11,17H,1-3H3,(H,20,21)/b12-4+/t17-/m0/s1
InChIKeyUQPOSFKRDWKFBK-XAANGBPESA-N
XLogP4.17
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one?
The IUPAC name of (2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one (CID 146683004) is (2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one.
What is the SMILES notation for (2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one?
The canonical SMILES for (2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one is C/C=C(\C)[C@@H]1Oc2c(-c3ccccc3)c[nH]c(=O)c2C=C1C.
What is the InChIKey of (2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one?
The InChIKey is UQPOSFKRDWKFBK-XAANGBPESA-N. The full InChI is InChI=1S/C19H19NO2/c1-4-12(2)17-13(3)10-15-18(22-17)16(11-20-19(15)21)14-8-6-5-7-9-14/h4-11,17H,1-3H3,(H,20,21)/b12-4+/t17-/m0/s1.
What are the key properties of (2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one?
(2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one has a molecular weight of 293.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one is sourced from PubChem (CID 146683004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).