4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C20H19NO4 — CID 58317011

IUPAC4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC3(c4ccccc4)CC3)c2C(=O)N1
InChIInChI=1S/C20H19NO4/c22-16-12-15-18(19(24)21-16)13(11-17(23)25-15)5-4-8-20(9-10-20)14-6-2-1-3-7-14/h1-3,6-7,11H,4-5,8-10,12H2,(H,21,22,24)
InChIKeyWSWBGWUEYXHSMN-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.51
Rot. Bonds5

About 4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317011) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317011
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC3(c4ccccc4)CC3)c2C(=O)N1
InChIInChI=1S/C20H19NO4/c22-16-12-15-18(19(24)21-16)13(11-17(23)25-15)5-4-8-20(9-10-20)14-6-2-1-3-7-14/h1-3,6-7,11H,4-5,8-10,12H2,(H,21,22,24)
InChIKeyWSWBGWUEYXHSMN-UHFFFAOYSA-N
XLogP2.51
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(2-fluorophenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317021
4-(2-cyclobutylethyl)-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317075
4-[(2-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317164
4-[(3-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317169
4-butyl-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317202
7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187323
4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187432
4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317032
4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317033
4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317112
4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317129
3-[(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)methyl]benzonitrile
CID 58317133

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317011) is 4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCCC3(c4ccccc4)CC3)c2C(=O)N1.
What is the InChIKey of 4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is WSWBGWUEYXHSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-16-12-15-18(19(24)21-16)13(11-17(23)25-15)5-4-8-20(9-10-20)14-6-2-1-3-7-14/h1-3,6-7,11H,4-5,8-10,12H2,(H,21,22,24).
What are the key properties of 4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 337.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).