3-(4H-azepin-7-yl)-1H-indole

C14H12N2 — CID 136657894

IUPAC3-(4H-azepin-7-yl)-1H-indole
SMILESC1=CN=C(c2c[nH]c3ccccc23)C=CC1
InChIInChI=1S/C14H12N2/c1-2-7-14(15-9-5-1)12-10-16-13-8-4-3-6-11(12)13/h2-10,16H,1H2
InChIKeyBYCXDKMYQBWQNN-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.43
Rot. Bonds1

About 3-(4H-azepin-7-yl)-1H-indole

3-(4H-azepin-7-yl)-1H-indole (PubChem CID 136657894) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(4H-azepin-7-yl)-1H-indole.

Molecular Properties

Compound Name3-(4H-azepin-7-yl)-1H-indole
PubChem CID136657894
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name3-(4H-azepin-7-yl)-1H-indole
SMILESC1=CN=C(c2c[nH]c3ccccc23)C=CC1
InChIInChI=1S/C14H12N2/c1-2-7-14(15-9-5-1)12-10-16-13-8-4-3-6-11(12)13/h2-10,16H,1H2
InChIKeyBYCXDKMYQBWQNN-UHFFFAOYSA-N
XLogP3.43
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
methane;3-phenyl-1H-indole
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3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
3-pyridin-4-yl-1H-indole
CID 159430533
5-(1H-indol-3-yl)-3-methylpyrrol-2-one
CID 171488388
2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide
CID 146120911
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
3-selenophen-3-yl-1H-indole
CID 172687762
2-(1H-indol-3-yl)aniline
CID 25210227
5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine
CID 27783
2-(1H-indol-3-yl)-3H-indole
CID 163416742
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197

Frequently Asked Questions

What is the IUPAC name of 3-(4H-azepin-7-yl)-1H-indole?
The IUPAC name of 3-(4H-azepin-7-yl)-1H-indole (CID 136657894) is 3-(4H-azepin-7-yl)-1H-indole.
What is the SMILES notation for 3-(4H-azepin-7-yl)-1H-indole?
The canonical SMILES for 3-(4H-azepin-7-yl)-1H-indole is C1=CN=C(c2c[nH]c3ccccc23)C=CC1.
What is the InChIKey of 3-(4H-azepin-7-yl)-1H-indole?
The InChIKey is BYCXDKMYQBWQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-7-14(15-9-5-1)12-10-16-13-8-4-3-6-11(12)13/h2-10,16H,1H2.
What are the key properties of 3-(4H-azepin-7-yl)-1H-indole?
3-(4H-azepin-7-yl)-1H-indole has a molecular weight of 208.26 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4H-azepin-7-yl)-1H-indole is sourced from PubChem (CID 136657894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).