(2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one

C20H23NO3 — CID 146683573

IUPAC(2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one
SMILESC/C=C(/C)[C@@H]1Oc2c(-c3ccccc3)c[nH]c(=O)c2[C@@H](OC)[C@@H]1C
InChIInChI=1S/C20H23NO3/c1-5-12(2)17-13(3)18(23-4)16-19(24-17)15(11-21-20(16)22)14-9-7-6-8-10-14/h5-11,13,17-18H,1-4H3,(H,21,22)/b12-5-/t13-,17+,18+/m1/s1
InChIKeyKZEICARMWDZDDS-DTAGQJGKSA-N
MW325.41 g/mol
LogP4.09
Rot. Bonds3

About (2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one

(2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one (PubChem CID 146683573) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one.

Molecular Properties

Compound Name(2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one
PubChem CID146683573
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one
SMILESC/C=C(/C)[C@@H]1Oc2c(-c3ccccc3)c[nH]c(=O)c2[C@@H](OC)[C@@H]1C
InChIInChI=1S/C20H23NO3/c1-5-12(2)17-13(3)18(23-4)16-19(24-17)15(11-21-20(16)22)14-9-7-6-8-10-14/h5-11,13,17-18H,1-4H3,(H,21,22)/b12-5-/t13-,17+,18+/m1/s1
InChIKeyKZEICARMWDZDDS-DTAGQJGKSA-N
XLogP4.09
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 9998082
CID 9998082
CID 170990398
CID 170990398
CID 11024923
CID 11024923
CID 171342704
CID 171342704
CID 171342970
CID 171342970
CID 171348159
CID 171348159
CID 171348657
CID 171348657
CID 171349161
CID 171349161
CID 171349411
CID 171349411
CID 171352298
CID 171352298
CID 171352868
CID 171352868
CID 171354238
CID 171354238

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one?
The IUPAC name of (2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one (CID 146683573) is (2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one.
What is the SMILES notation for (2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one?
The canonical SMILES for (2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one is C/C=C(/C)[C@@H]1Oc2c(-c3ccccc3)c[nH]c(=O)c2[C@@H](OC)[C@@H]1C.
What is the InChIKey of (2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one?
The InChIKey is KZEICARMWDZDDS-DTAGQJGKSA-N. The full InChI is InChI=1S/C20H23NO3/c1-5-12(2)17-13(3)18(23-4)16-19(24-17)15(11-21-20(16)22)14-9-7-6-8-10-14/h5-11,13,17-18H,1-4H3,(H,21,22)/b12-5-/t13-,17+,18+/m1/s1.
What are the key properties of (2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one?
(2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one has a molecular weight of 325.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-[(Z)-but-2-en-2-yl]-4-methoxy-3-methyl-8-phenyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one is sourced from PubChem (CID 146683573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).