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

C17H21NO4 — CID 58187311

IUPAC4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCC(C)C1(CCCc2cc(=O)oc3c2C(=O)NC(=O)C3)CC1
InChIInChI=1S/C17H21NO4/c1-10(2)17(6-7-17)5-3-4-11-8-14(20)22-12-9-13(19)18-16(21)15(11)12/h8,10H,3-7,9H2,1-2H3,(H,18,19,21)
InChIKeyWSQLUHBRFIZXMX-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.21
Rot. Bonds5

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

4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58187311) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58187311
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCC(C)C1(CCCc2cc(=O)oc3c2C(=O)NC(=O)C3)CC1
InChIInChI=1S/C17H21NO4/c1-10(2)17(6-7-17)5-3-4-11-8-14(20)22-12-9-13(19)18-16(21)15(11)12/h8,10H,3-7,9H2,1-2H3,(H,18,19,21)
InChIKeyWSQLUHBRFIZXMX-UHFFFAOYSA-N
XLogP2.21
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.21
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-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317055
4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317141
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
4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187400
7-methylidene-4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187445
4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187460
7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187508
7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187509
4-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187515

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58187311) is 4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CC(C)C1(CCCc2cc(=O)oc3c2C(=O)NC(=O)C3)CC1.
What is the InChIKey of 4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is WSQLUHBRFIZXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-10(2)17(6-7-17)5-3-4-11-8-14(20)22-12-9-13(19)18-16(21)15(11)12/h8,10H,3-7,9H2,1-2H3,(H,18,19,21).
What are the key properties of 4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 303.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58187311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).