7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

C17H18ClNO — CID 53494935

IUPAC7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.NC1CCc2cccc(-c3ccccc3)c2CC1=O
InChIInChI=1S/C17H17NO.ClH/c18-16-10-9-13-7-4-8-14(15(13)11-17(16)19)12-5-2-1-3-6-12;/h1-8,16H,9-11,18H2;1H
InChIKeyQDLPFXRBZXAZRL-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.16
Rot. Bonds1

About 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (PubChem CID 53494935) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.

Molecular Properties

Compound Name7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
PubChem CID53494935
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.NC1CCc2cccc(-c3ccccc3)c2CC1=O
InChIInChI=1S/C17H17NO.ClH/c18-16-10-9-13-7-4-8-14(15(13)11-17(16)19)12-5-2-1-3-6-12;/h1-8,16H,9-11,18H2;1H
InChIKeyQDLPFXRBZXAZRL-UHFFFAOYSA-N
XLogP3.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The IUPAC name of 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (CID 53494935) is 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.
What is the SMILES notation for 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The canonical SMILES for 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is Cl.NC1CCc2cccc(-c3ccccc3)c2CC1=O.
What is the InChIKey of 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The InChIKey is QDLPFXRBZXAZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.ClH/c18-16-10-9-13-7-4-8-14(15(13)11-17(16)19)12-5-2-1-3-6-12;/h1-8,16H,9-11,18H2;1H.
What are the key properties of 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is sourced from PubChem (CID 53494935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).