7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

C11H13Cl2NO — CID 56672292

IUPAC7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.NC1CCc2c(Cl)cccc2CC1=O
InChIInChI=1S/C11H12ClNO.ClH/c12-9-3-1-2-7-6-11(14)10(13)5-4-8(7)9;/h1-3,10H,4-6,13H2;1H
InChIKeyLRPNIRNUDXRQPJ-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.15
Rot. Bonds

About 7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (PubChem CID 56672292) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.

Molecular Properties

Compound Name7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
PubChem CID56672292
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.NC1CCc2c(Cl)cccc2CC1=O
InChIInChI=1S/C11H12ClNO.ClH/c12-9-3-1-2-7-6-11(14)10(13)5-4-8(7)9;/h1-3,10H,4-6,13H2;1H
InChIKeyLRPNIRNUDXRQPJ-UHFFFAOYSA-N
XLogP2.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The IUPAC name of 7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (CID 56672292) is 7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.
What is the SMILES notation for 7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The canonical SMILES for 7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is Cl.NC1CCc2c(Cl)cccc2CC1=O.
What is the InChIKey of 7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The InChIKey is LRPNIRNUDXRQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO.ClH/c12-9-3-1-2-7-6-11(14)10(13)5-4-8(7)9;/h1-3,10H,4-6,13H2;1H.
What are the key properties of 7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride has a molecular weight of 246.14 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is sourced from PubChem (CID 56672292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).