1H-[1,4]diazepino[1,2-a]indole

C12H10N2 — CID 56984684

IUPAC1H-[1,4]diazepino[1,2-a]indole
SMILESC1=Cn2c(cc3ccccc32)CN=C1
InChIInChI=1S/C12H10N2/c1-2-5-12-10(4-1)8-11-9-13-6-3-7-14(11)12/h1-8H,9H2
InChIKeyLHXGQPBPRRYNSY-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.70
Rot. Bonds

About 1H-[1,4]diazepino[1,2-a]indole

1H-[1,4]diazepino[1,2-a]indole (PubChem CID 56984684) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1H-[1,4]diazepino[1,2-a]indole.

Molecular Properties

Compound Name1H-[1,4]diazepino[1,2-a]indole
PubChem CID56984684
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1H-[1,4]diazepino[1,2-a]indole
SMILESC1=Cn2c(cc3ccccc32)CN=C1
InChIInChI=1S/C12H10N2/c1-2-5-12-10(4-1)8-11-9-13-6-3-7-14(11)12/h1-8H,9H2
InChIKeyLHXGQPBPRRYNSY-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-[1,4]diazepino[1,2-a]indole?
The IUPAC name of 1H-[1,4]diazepino[1,2-a]indole (CID 56984684) is 1H-[1,4]diazepino[1,2-a]indole.
What is the SMILES notation for 1H-[1,4]diazepino[1,2-a]indole?
The canonical SMILES for 1H-[1,4]diazepino[1,2-a]indole is C1=Cn2c(cc3ccccc32)CN=C1.
What is the InChIKey of 1H-[1,4]diazepino[1,2-a]indole?
The InChIKey is LHXGQPBPRRYNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-5-12-10(4-1)8-11-9-13-6-3-7-14(11)12/h1-8H,9H2.
What are the key properties of 1H-[1,4]diazepino[1,2-a]indole?
1H-[1,4]diazepino[1,2-a]indole has a molecular weight of 182.23 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1,4]diazepino[1,2-a]indole is sourced from PubChem (CID 56984684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).