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

C15H17NO4 — CID 58187689

IUPAC4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCC1(CCCc2cc(=O)oc3c2C(=O)NC(=O)C3)CC1
InChIInChI=1S/C15H17NO4/c1-15(5-6-15)4-2-3-9-7-12(18)20-10-8-11(17)16-14(19)13(9)10/h7H,2-6,8H2,1H3,(H,16,17,19)
InChIKeyZGEBQLPPNUKEFJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.58
Rot. Bonds4

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

4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58187689) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58187689
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCC1(CCCc2cc(=O)oc3c2C(=O)NC(=O)C3)CC1
InChIInChI=1S/C15H17NO4/c1-15(5-6-15)4-2-3-9-7-12(18)20-10-8-11(17)16-14(19)13(9)10/h7H,2-6,8H2,1H3,(H,16,17,19)
InChIKeyZGEBQLPPNUKEFJ-UHFFFAOYSA-N
XLogP1.58
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-(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-[(4,4-difluorocyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317101
4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317113
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
4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187311
4-[3-(2-ethylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187331
4-(2-cyclopropylethyl)-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187365
4-[3-(1-ethylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187384
4-(3-cyclopropylpropyl)-6-ethyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187390

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58187689) is 4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CC1(CCCc2cc(=O)oc3c2C(=O)NC(=O)C3)CC1.
What is the InChIKey of 4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is ZGEBQLPPNUKEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-15(5-6-15)4-2-3-9-7-12(18)20-10-8-11(17)16-14(19)13(9)10/h7H,2-6,8H2,1H3,(H,16,17,19).
What are the key properties of 4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 275.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58187689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).