11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole

C12H13ClN2 — CID 20726100

IUPAC11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole
SMILESClc1c2n(c3ccccc13)CCNCC2
InChIInChI=1S/C12H13ClN2/c13-12-9-3-1-2-4-10(9)15-8-7-14-6-5-11(12)15/h1-4,14H,5-8H2
InChIKeyUIEYJOPXJSOSFS-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.44
Rot. Bonds

About 11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole

11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole (PubChem CID 20726100) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole.

Molecular Properties

Compound Name11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole
PubChem CID20726100
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole
SMILESClc1c2n(c3ccccc13)CCNCC2
InChIInChI=1S/C12H13ClN2/c13-12-9-3-1-2-4-10(9)15-8-7-14-6-5-11(12)15/h1-4,14H,5-8H2
InChIKeyUIEYJOPXJSOSFS-UHFFFAOYSA-N
XLogP2.44
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole?
The IUPAC name of 11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole (CID 20726100) is 11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole.
What is the SMILES notation for 11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole?
The canonical SMILES for 11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole is Clc1c2n(c3ccccc13)CCNCC2.
What is the InChIKey of 11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole?
The InChIKey is UIEYJOPXJSOSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c13-12-9-3-1-2-4-10(9)15-8-7-14-6-5-11(12)15/h1-4,14H,5-8H2.
What are the key properties of 11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole?
11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole has a molecular weight of 220.70 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole is sourced from PubChem (CID 20726100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).