9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride

C15H16ClNO — CID 56668813

IUPAC9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride
SMILESCl.NC1CCc2ccc3ccccc3c2CC1=O
InChIInChI=1S/C15H15NO.ClH/c16-14-8-7-11-6-5-10-3-1-2-4-12(10)13(11)9-15(14)17;/h1-6,14H,7-9,16H2;1H
InChIKeyPKGGNEQKRMTVRT-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.65
Rot. Bonds

About 9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride

9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride (PubChem CID 56668813) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride.

Molecular Properties

Compound Name9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride
PubChem CID56668813
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride
SMILESCl.NC1CCc2ccc3ccccc3c2CC1=O
InChIInChI=1S/C15H15NO.ClH/c16-14-8-7-11-6-5-10-3-1-2-4-12(10)13(11)9-15(14)17;/h1-6,14H,7-9,16H2;1H
InChIKeyPKGGNEQKRMTVRT-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride?
The IUPAC name of 9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride (CID 56668813) is 9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride.
What is the SMILES notation for 9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride?
The canonical SMILES for 9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride is Cl.NC1CCc2ccc3ccccc3c2CC1=O.
What is the InChIKey of 9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride?
The InChIKey is PKGGNEQKRMTVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.ClH/c16-14-8-7-11-6-5-10-3-1-2-4-12(10)13(11)9-15(14)17;/h1-6,14H,7-9,16H2;1H.
What are the key properties of 9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride?
9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride is sourced from PubChem (CID 56668813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).