8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C18H18N2O3 — CID 42537781

IUPAC8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESC=CCOc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C18H18N2O3/c1-4-7-22-17-13(10-19)12-9-18(2,3)23-11-14(12)16(20-17)15-6-5-8-21-15/h4-6,8H,1,7,9,11H2,2-3H3
InChIKeyQSYWEJLTWRKFTA-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.63
Rot. Bonds4

About 8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 42537781) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID42537781
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESC=CCOc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C18H18N2O3/c1-4-7-22-17-13(10-19)12-9-18(2,3)23-11-14(12)16(20-17)15-6-5-8-21-15/h4-6,8H,1,7,9,11H2,2-3H3
InChIKeyQSYWEJLTWRKFTA-UHFFFAOYSA-N
XLogP3.63
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 919252
N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide
CID 42534100
8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 659403
2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide
CID 71708639
6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 42537570
4-ethoxy-2,6-bis(furan-2-yl)pyrimidine-5-carbonitrile
CID 70079353
methyl 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate
CID 71827184
2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile
CID 69289830
3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 752329
2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetohydrazide
CID 134691500
6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 3780172
8-(furan-2-yl)-4,4-dimethyl-13-(2-phenylethylsulfanyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
CID 1414339

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 42537781) is 8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is C=CCOc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2.
What is the InChIKey of 8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is QSYWEJLTWRKFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-4-7-22-17-13(10-19)12-9-18(2,3)23-11-14(12)16(20-17)15-6-5-8-21-15/h4-6,8H,1,7,9,11H2,2-3H3.
What are the key properties of 8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 310.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-3,3-dimethyl-6-prop-2-enoxy-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 42537781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).