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

C16H19NO4 — CID 58317147

IUPAC4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCC1CCC(Cc2cc(=O)oc3c2C(=O)NC(=O)C3)CC1
InChIInChI=1S/C16H19NO4/c1-9-2-4-10(5-3-9)6-11-7-14(19)21-12-8-13(18)17-16(20)15(11)12/h7,9-10H,2-6,8H2,1H3,(H,17,18,20)
InChIKeyYIJVERZMFVEIAV-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.82
Rot. Bonds2

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

4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317147) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317147
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCC1CCC(Cc2cc(=O)oc3c2C(=O)NC(=O)C3)CC1
InChIInChI=1S/C16H19NO4/c1-9-2-4-10(5-3-9)6-11-7-14(19)21-12-8-13(18)17-16(20)15(11)12/h7,9-10H,2-6,8H2,1H3,(H,17,18,20)
InChIKeyYIJVERZMFVEIAV-UHFFFAOYSA-N
XLogP1.82
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.82
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-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187702
4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317010
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
4-(2-cyclopentylethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187488
4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187460
7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187461
4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187602
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
1-[2-(4-methylcyclohexyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 112598051
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317147) is 4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CC1CCC(Cc2cc(=O)oc3c2C(=O)NC(=O)C3)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is YIJVERZMFVEIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-9-2-4-10(5-3-9)6-11-7-14(19)21-12-8-13(18)17-16(20)15(11)12/h7,9-10H,2-6,8H2,1H3,(H,17,18,20).
What are the key properties of 4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 289.33 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).