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

C15H16ClNO — CID 56668814

IUPAC9-amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride
SMILESCl.NC1CCc2c(ccc3ccccc23)CC1=O
InChIInChI=1S/C15H15NO.ClH/c16-14-8-7-13-11(9-15(14)17)6-5-10-3-1-2-4-12(10)13;/h1-6,14H,7-9,16H2;1H
InChIKeyLHPXFYXAPSYILM-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.65
Rot. Bonds

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

9-amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride (PubChem CID 56668814) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 9-amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride.

Molecular Properties

Compound Name9-amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride
PubChem CID56668814
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name9-amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride
SMILESCl.NC1CCc2c(ccc3ccccc23)CC1=O
InChIInChI=1S/C15H15NO.ClH/c16-14-8-7-13-11(9-15(14)17)6-5-10-3-1-2-4-12(10)13;/h1-6,14H,7-9,16H2;1H
InChIKeyLHPXFYXAPSYILM-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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Related Compounds

2(1H)-Naphthalenone, 3-amino-3,4-dihydro-
CID 10130111
2-Naphthaleneacetamide
CID 95293
2-Amino-1,4-dihydro-3(2H)-phenanthrenone
CID 15078261
3-Amino-3,4-dihydro-2-(1H)-naphthalenone, hydrochloride
CID 24901452
7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one hydrochloride
CID 24988072
7-Amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 53494935
7-Amino-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 53494936
Nam napthylaminoalanine
CID 5288981
7-Amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 56668811
9-Amino-7,8,9,11-tetrahydrocyclohepta[a]naphthalen-10-one;hydrochloride
CID 56668813
7-Amino-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 56675686
(5S,7S)-7-amino-5-fluoro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 66560594

Frequently Asked Questions

What is the IUPAC name of 9-amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride?
The IUPAC name of 9-amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride (CID 56668814) is 9-amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride.
What is the SMILES notation for 9-amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride?
The canonical SMILES for 9-amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride is Cl.NC1CCc2c(ccc3ccccc23)CC1=O.
What is the InChIKey of 9-amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride?
The InChIKey is LHPXFYXAPSYILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.ClH/c16-14-8-7-13-11(9-15(14)17)6-5-10-3-1-2-4-12(10)13;/h1-6,14H,7-9,16H2;1H.
What are the key properties of 9-amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride?
9-amino-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-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-7,9,10,11-tetrahydrocyclohepta[a]naphthalen-8-one;hydrochloride is sourced from PubChem (CID 56668814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).