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

C15H17NO4 — CID 58187702

IUPAC4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CC3CCCCC3)c2C(=O)N1
InChIInChI=1S/C15H17NO4/c17-12-8-11-14(15(19)16-12)10(7-13(18)20-11)6-9-4-2-1-3-5-9/h7,9H,1-6,8H2,(H,16,17,19)
InChIKeyBYLAJTUCGVYSCC-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.58
Rot. Bonds2

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

4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58187702) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58187702
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CC3CCCCC3)c2C(=O)N1
InChIInChI=1S/C15H17NO4/c17-12-8-11-14(15(19)16-12)10(7-13(18)20-11)6-9-4-2-1-3-5-9/h7,9H,1-6,8H2,(H,16,17,19)
InChIKeyBYLAJTUCGVYSCC-UHFFFAOYSA-N
XLogP1.58
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.58
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-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317147
4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317010
4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317097
4-(2-cyclopentylethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187488
4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317224
4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317151
4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317155
7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187461
7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione
CID 58317136
4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187698
4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187460
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58187702) is 4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CC3CCCCC3)c2C(=O)N1.
What is the InChIKey of 4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is BYLAJTUCGVYSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-12-8-11-14(15(19)16-12)10(7-13(18)20-11)6-9-4-2-1-3-5-9/h7,9H,1-6,8H2,(H,16,17,19).
What are the key properties of 4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 275.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58187702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).