azane;4-chlorocyclopropa[b]indole

C9H7ClN2 — CID 174412946

IUPACazane;4-chlorocyclopropa[b]indole
SMILESClc1ccc2c3cc-3nc2c1.N
InChIInChI=1S/C9H4ClN.H3N/c10-5-1-2-6-7-4-9(7)11-8(6)3-5;/h1-4H;1H3
InChIKeyHDIAJZVNBSFKQV-UHFFFAOYSA-N
MW178.62 g/mol
LogP3.03
Rot. Bonds

About azane;4-chlorocyclopropa[b]indole

azane;4-chlorocyclopropa[b]indole (PubChem CID 174412946) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is azane;4-chlorocyclopropa[b]indole.

Molecular Properties

Compound Nameazane;4-chlorocyclopropa[b]indole
PubChem CID174412946
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Nameazane;4-chlorocyclopropa[b]indole
SMILESClc1ccc2c3cc-3nc2c1.N
InChIInChI=1S/C9H4ClN.H3N/c10-5-1-2-6-7-4-9(7)11-8(6)3-5;/h1-4H;1H3
InChIKeyHDIAJZVNBSFKQV-UHFFFAOYSA-N
XLogP3.03
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;4-chlorocyclopropa[b]indole?
The IUPAC name of azane;4-chlorocyclopropa[b]indole (CID 174412946) is azane;4-chlorocyclopropa[b]indole.
What is the SMILES notation for azane;4-chlorocyclopropa[b]indole?
The canonical SMILES for azane;4-chlorocyclopropa[b]indole is Clc1ccc2c3cc-3nc2c1.N.
What is the InChIKey of azane;4-chlorocyclopropa[b]indole?
The InChIKey is HDIAJZVNBSFKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN.H3N/c10-5-1-2-6-7-4-9(7)11-8(6)3-5;/h1-4H;1H3.
What are the key properties of azane;4-chlorocyclopropa[b]indole?
azane;4-chlorocyclopropa[b]indole has a molecular weight of 178.62 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-chlorocyclopropa[b]indole is sourced from PubChem (CID 174412946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).