2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile

C20H10N4O2 — CID 139221553

IUPAC2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile
SMILESN#Cc1nnc(-c2cc3ccccc3[nH]2)oc2c3ccccc3c(=O)c1=2
InChIInChI=1S/C20H10N4O2/c21-10-16-17-18(25)12-6-2-3-7-13(12)19(17)26-20(24-23-16)15-9-11-5-1-4-8-14(11)22-15/h1-9,22H
InChIKeyZDNHUEGQCGILJD-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.33
Rot. Bonds1

About 2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile

2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile (PubChem CID 139221553) has the molecular formula C20H10N4O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile
PubChem CID139221553
Molecular FormulaC20H10N4O2
Molecular Weight338.33 g/mol
Exact Mass338.08
IUPAC Name2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile
SMILESN#Cc1nnc(-c2cc3ccccc3[nH]2)oc2c3ccccc3c(=O)c1=2
InChIInChI=1S/C20H10N4O2/c21-10-16-17-18(25)12-6-2-3-7-13(12)19(17)26-20(24-23-16)15-9-11-5-1-4-8-14(11)22-15/h1-9,22H
InChIKeyZDNHUEGQCGILJD-UHFFFAOYSA-N
XLogP3.33
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 137090733
2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole
CID 137153670
2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole
CID 137221851
2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 137308252
3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 137308248
N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine
CID 135921697
1-(1H-indol-2-yl)xanthen-9-one
CID 134824217
2-(1H-indol-2-yl)-1,3-oxazole
CID 67340234
methyl 2-(1H-indol-2-yl)-1,3-benzoxazole-7-carboxylate
CID 66621353
CID 87602032
CID 87602032
1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 90861504
3-(1H-indol-2-yl)-4-methoxychromen-2-one
CID 177487143

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile?
The IUPAC name of 2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile (CID 139221553) is 2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile.
What is the SMILES notation for 2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile?
The canonical SMILES for 2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile is N#Cc1nnc(-c2cc3ccccc3[nH]2)oc2c3ccccc3c(=O)c1=2.
What is the InChIKey of 2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile?
The InChIKey is ZDNHUEGQCGILJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N4O2/c21-10-16-17-18(25)12-6-2-3-7-13(12)19(17)26-20(24-23-16)15-9-11-5-1-4-8-14(11)22-15/h1-9,22H.
What are the key properties of 2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile?
2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile has a molecular weight of 338.33 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-6-oxoindeno[2,1-f][1,3,4]oxadiazepine-5-carbonitrile is sourced from PubChem (CID 139221553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).