3H-diazepino[1,7-a]indole

C12H10N2 — CID 14002687

IUPAC3H-diazepino[1,7-a]indole
SMILESC1=Cc2cc3ccccc3n2N=CC1
InChIInChI=1S/C12H10N2/c1-2-7-12-10(5-1)9-11-6-3-4-8-13-14(11)12/h1-3,5-9H,4H2
InChIKeyFJSUNQBURHHPCX-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.89
Rot. Bonds

About 3H-diazepino[1,7-a]indole

3H-diazepino[1,7-a]indole (PubChem CID 14002687) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 3H-diazepino[1,7-a]indole.

Molecular Properties

Compound Name3H-diazepino[1,7-a]indole
PubChem CID14002687
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name3H-diazepino[1,7-a]indole
SMILESC1=Cc2cc3ccccc3n2N=CC1
InChIInChI=1S/C12H10N2/c1-2-7-12-10(5-1)9-11-6-3-4-8-13-14(11)12/h1-3,5-9H,4H2
InChIKeyFJSUNQBURHHPCX-UHFFFAOYSA-N
XLogP2.89
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 86746430
3H-pyrazino[1,2-a]indol-4-one
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tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene
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3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole
CID 15287249
[1,3]thiazolo[3,2-a]indole
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pyrido[1,2-a]indol-7-ol
CID 91578458
11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,13,15-heptaene
CID 70288039
5-phenyl-6,7-dihydroindolo[3,2-b]quinoline
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N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine
CID 23355495
10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene
CID 154947539
2-indolo[1,2-c]quinazolin-6-yl-6-methyl-1,3-benzothiazole
CID 10872241
N,1-dimethylindol-2-amine
CID 11744928

Frequently Asked Questions

What is the IUPAC name of 3H-diazepino[1,7-a]indole?
The IUPAC name of 3H-diazepino[1,7-a]indole (CID 14002687) is 3H-diazepino[1,7-a]indole.
What is the SMILES notation for 3H-diazepino[1,7-a]indole?
The canonical SMILES for 3H-diazepino[1,7-a]indole is C1=Cc2cc3ccccc3n2N=CC1.
What is the InChIKey of 3H-diazepino[1,7-a]indole?
The InChIKey is FJSUNQBURHHPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-7-12-10(5-1)9-11-6-3-4-8-13-14(11)12/h1-3,5-9H,4H2.
What are the key properties of 3H-diazepino[1,7-a]indole?
3H-diazepino[1,7-a]indole has a molecular weight of 182.23 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-diazepino[1,7-a]indole is sourced from PubChem (CID 14002687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).