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

C11H14ClNO — CID 53320959

IUPAC6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride
SMILESCl.NC1Cc2ccccc2CCC1=O
InChIInChI=1S/C11H13NO.ClH/c12-10-7-9-4-2-1-3-8(9)5-6-11(10)13;/h1-4,10H,5-7,12H2;1H
InChIKeyBOLKNVYUXKJTEX-UHFFFAOYSA-N
MW211.69 g/mol
LogP1.49
Rot. Bonds

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

6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride (PubChem CID 53320959) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride.

Molecular Properties

Compound Name6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride
PubChem CID53320959
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride
SMILESCl.NC1Cc2ccccc2CCC1=O
InChIInChI=1S/C11H13NO.ClH/c12-10-7-9-4-2-1-3-8(9)5-6-11(10)13;/h1-4,10H,5-7,12H2;1H
InChIKeyBOLKNVYUXKJTEX-UHFFFAOYSA-N
XLogP1.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride?
The IUPAC name of 6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride (CID 53320959) is 6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride.
What is the SMILES notation for 6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride?
The canonical SMILES for 6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride is Cl.NC1Cc2ccccc2CCC1=O.
What is the InChIKey of 6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride?
The InChIKey is BOLKNVYUXKJTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.ClH/c12-10-7-9-4-2-1-3-8(9)5-6-11(10)13;/h1-4,10H,5-7,12H2;1H.
What are the key properties of 6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride?
6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride has a molecular weight of 211.69 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5,6,8,9-tetrahydrobenzo[7]annulen-7-one;hydrochloride is sourced from PubChem (CID 53320959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).