10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide

C14H14N2O3 — CID 116986798

IUPAC10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide
SMILESN#Cc1c2c(c(C(N)=O)c3c1OCCC3)OCCC2
InChIInChI=1S/C14H14N2O3/c15-7-10-8-3-1-6-19-13(8)11(14(16)17)9-4-2-5-18-12(9)10/h1-6H2,(H2,16,17)
InChIKeyDIHKPYLHMPHKCC-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.31
Rot. Bonds1

About 10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide

10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide (PubChem CID 116986798) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide.

Molecular Properties

Compound Name10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide
PubChem CID116986798
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide
SMILESN#Cc1c2c(c(C(N)=O)c3c1OCCC3)OCCC2
InChIInChI=1S/C14H14N2O3/c15-7-10-8-3-1-6-19-13(8)11(14(16)17)9-4-2-5-18-12(9)10/h1-6H2,(H2,16,17)
InChIKeyDIHKPYLHMPHKCC-UHFFFAOYSA-N
XLogP1.31
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-cyano-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxylic acid
CID 116986661
2-(8-cyano-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 116986702
5-(methylamino)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-10-carboxylic acid
CID 116986778
methyl 5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-10-carboxylate
CID 116986453
ethyl 6-methyl-2,3,7,8,9,10-hexahydro-1H-benzo[f]chromene-5-carboxylate
CID 101370006
7-bromo-3,4-dihydro-2H-1,5-benzodioxepine-6-carbonitrile
CID 117388063
2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile
CID 116986761
1,2,3,6,7,8-hexahydro-as-indacene-4,5-dicarbonitrile
CID 22157187
dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate
CID 10539657
2-[(E)-1-(3,5-diamino-4-cyanothiophen-2-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 11405704
4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid
CID 116986659
2-amino-2-(5-hydroxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid
CID 117447616

Frequently Asked Questions

What is the IUPAC name of 10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide?
The IUPAC name of 10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide (CID 116986798) is 10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide.
What is the SMILES notation for 10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide?
The canonical SMILES for 10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide is N#Cc1c2c(c(C(N)=O)c3c1OCCC3)OCCC2.
What is the InChIKey of 10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide?
The InChIKey is DIHKPYLHMPHKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-7-10-8-3-1-6-19-13(8)11(14(16)17)9-4-2-5-18-12(9)10/h1-6H2,(H2,16,17).
What are the key properties of 10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide?
10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyano-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxamide is sourced from PubChem (CID 116986798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).