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

C17H19NO4 — CID 58317224

IUPAC4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC3(C4CC4)CC3)c2C(=O)N1
InChIInChI=1S/C17H19NO4/c19-13-9-12-15(16(21)18-13)10(8-14(20)22-12)2-1-5-17(6-7-17)11-3-4-11/h8,11H,1-7,9H2,(H,18,19,21)
InChIKeyKQVHHFFEUAYYIY-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.97
Rot. Bonds5

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

4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317224) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317224
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC3(C4CC4)CC3)c2C(=O)N1
InChIInChI=1S/C17H19NO4/c19-13-9-12-15(16(21)18-13)10(8-14(20)22-12)2-1-5-17(6-7-17)11-3-4-11/h8,11H,1-7,9H2,(H,18,19,21)
InChIKeyKQVHHFFEUAYYIY-UHFFFAOYSA-N
XLogP1.97
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.97
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-[[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-(1-ethylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187384
7-methylidene-4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187445
7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187508
4-[2-(1-cyclopropylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187532
4-[3-(1-methylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187594
4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187602
4-[3-(1-methylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187689
4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187702
7-methylidene-4-(2-spiro[2.3]hexan-5-ylethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187710
4-(cyclopentylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187718

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317224) is 4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCCC3(C4CC4)CC3)c2C(=O)N1.
What is the InChIKey of 4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is KQVHHFFEUAYYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c19-13-9-12-15(16(21)18-13)10(8-14(20)22-12)2-1-5-17(6-7-17)11-3-4-11/h8,11H,1-7,9H2,(H,18,19,21).
What are the key properties of 4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 301.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).