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

C18H21NO3 — CID 58187602

IUPAC4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCC3(C4CC4)CC3)c2C(=O)N1
InChIInChI=1S/C18H21NO3/c1-11-9-14-16(17(21)19-11)12(10-15(20)22-14)3-2-6-18(7-8-18)13-4-5-13/h10,13H,1-9H2,(H,19,21)
InChIKeyPABVPENXNSYRTG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.95
Rot. Bonds5

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

4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187602) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187602
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCC3(C4CC4)CC3)c2C(=O)N1
InChIInChI=1S/C18H21NO3/c1-11-9-14-16(17(21)19-11)12(10-15(20)22-14)3-2-6-18(7-8-18)13-4-5-13/h10,13H,1-9H2,(H,19,21)
InChIKeyPABVPENXNSYRTG-UHFFFAOYSA-N
XLogP2.95
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione with MolForge

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Related Compounds

4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317224
4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187698
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
4-(2-cyclopentylethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187488
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732
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-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317151
4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317010
4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317155
4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187702
4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317147

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187602) is 4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CCCC3(C4CC4)CC3)c2C(=O)N1.
What is the InChIKey of 4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is PABVPENXNSYRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-11-9-14-16(17(21)19-11)12(10-15(20)22-14)3-2-6-18(7-8-18)13-4-5-13/h10,13H,1-9H2,(H,19,21).
What are the key properties of 4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 299.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).