5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile

C14H10N2O2 — CID 12628424

IUPAC5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile
SMILESCc1ccc2c(c1)c1oc(C#N)cc(=O)c1n2C
InChIInChI=1S/C14H10N2O2/c1-8-3-4-11-10(5-8)14-13(16(11)2)12(17)6-9(7-15)18-14/h3-6H,1-2H3
InChIKeyDNLNFVQVJPQKDA-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.46
Rot. Bonds

About 5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile

5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile (PubChem CID 12628424) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile.

Molecular Properties

Compound Name5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile
PubChem CID12628424
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile
SMILESCc1ccc2c(c1)c1oc(C#N)cc(=O)c1n2C
InChIInChI=1S/C14H10N2O2/c1-8-3-4-11-10(5-8)14-13(16(11)2)12(17)6-9(7-15)18-14/h3-6H,1-2H3
InChIKeyDNLNFVQVJPQKDA-UHFFFAOYSA-N
XLogP2.46
TPSA58.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Acetyl-1-methylindol-3-yl) 3-chlorobenzoate
CID 2174517
2-acetyl-1-methyl-1H-indol-3-yl 4-methylbenzoate
CID 895510
N-(2-ethoxyphenyl)-1,5-dimethyl-1H-indole-2-carboxamide
CID 16014912
5-Methoxy-1-methyl-3-(1-methylethoxy)-1H-indole-2-carboxamide
CID 10220880
Koniamborine
CID 11345225
1H-Indole-2-carboxylic acid, 1-(2-(dimethylamino)ethyl)-5-methyl-3-(1-methylethoxy)-, methyl ester, hydrochloride
CID 3060289
1H-Indole-2-carboxylic acid, 1-(2-(dimethylamino)ethyl)-3-methoxy-
CID 3060301
1H-Indole-2-carboxamide, 1-(2-(dimethylamino)ethyl)-3-methoxy-
CID 3060302
1H-Indole-2-carboxamide, 1-(2-(dimethylamino)ethyl)-3-methoxy-N-methyl-
CID 3060303
2-acetyl-1-methyl-1H-indol-3-yl benzoate
CID 947463
5-Methyl-2-(1H-tetraazol-5-yl)pyrano(3,2-b)indol-4(5H)-one
CID 340640
5-Methyl-4-oxo-4,5-dihydropyrano[3,2-b]indole-2-carboxylic acid
CID 12620584

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile?
The IUPAC name of 5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile (CID 12628424) is 5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile.
What is the SMILES notation for 5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile?
The canonical SMILES for 5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile is Cc1ccc2c(c1)c1oc(C#N)cc(=O)c1n2C.
What is the InChIKey of 5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile?
The InChIKey is DNLNFVQVJPQKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-8-3-4-11-10(5-8)14-13(16(11)2)12(17)6-9(7-15)18-14/h3-6H,1-2H3.
What are the key properties of 5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile?
5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile is sourced from PubChem (CID 12628424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).