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

C14H15NO4 — CID 58187718

IUPAC4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CC3CCCC3)c2C(=O)N1
InChIInChI=1S/C14H15NO4/c16-11-7-10-13(14(18)15-11)9(6-12(17)19-10)5-8-3-1-2-4-8/h6,8H,1-5,7H2,(H,15,16,18)
InChIKeyICOJAWNZYSQFBF-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.18
Rot. Bonds2

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

4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58187718) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58187718
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CC3CCCC3)c2C(=O)N1
InChIInChI=1S/C14H15NO4/c16-11-7-10-13(14(18)15-11)9(6-12(17)19-10)5-8-3-1-2-4-8/h6,8H,1-5,7H2,(H,15,16,18)
InChIKeyICOJAWNZYSQFBF-UHFFFAOYSA-N
XLogP1.18
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.18
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-[[(1S)-3,3-difluorocyclopentyl]methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187330
4-(5,5-difluoro-4-methylpent-4-enyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317013
4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317055
4-[[(1S)-3,3-difluorocyclopentyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317062
4-(5,5-difluoropent-4-enyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317072
4-[(4,4-difluorocyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317101
4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317102
4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317113
4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317114
4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317125
4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317132
4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317141

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58187718) is 4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CC3CCCC3)c2C(=O)N1.
What is the InChIKey of 4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is ICOJAWNZYSQFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-11-7-10-13(14(18)15-11)9(6-12(17)19-10)5-8-3-1-2-4-8/h6,8H,1-5,7H2,(H,15,16,18).
What are the key properties of 4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 261.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58187718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).