(5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

C18H20ClNO — CID 66560606

IUPAC(5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.N[C@H]1CCc2ccccc2[C@@H](Cc2ccccc2)C1=O
InChIInChI=1S/C18H19NO.ClH/c19-17-11-10-14-8-4-5-9-15(14)16(18(17)20)12-13-6-2-1-3-7-13;/h1-9,16-17H,10-12,19H2;1H/t16-,17+;/m1./s1
InChIKeyRRXFQOUHQNJQEP-PPPUBMIESA-N
MW301.82 g/mol
LogP3.28
Rot. Bonds2

About (5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

(5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (PubChem CID 66560606) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is (5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.

Molecular Properties

Compound Name(5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
PubChem CID66560606
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name(5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.N[C@H]1CCc2ccccc2[C@@H](Cc2ccccc2)C1=O
InChIInChI=1S/C18H19NO.ClH/c19-17-11-10-14-8-4-5-9-15(14)16(18(17)20)12-13-6-2-1-3-7-13;/h1-9,16-17H,10-12,19H2;1H/t16-,17+;/m1./s1
InChIKeyRRXFQOUHQNJQEP-PPPUBMIESA-N
XLogP3.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride with MolForge

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Related Compounds

(5S,7S)-7-amino-5-benzylsulfanyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 66560596
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate
CID 67132740
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
(7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 71453803
7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 24975348
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
[(1S,2R)-1-benzyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride
CID 11807876
(4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 146584444
1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride
CID 22037055
cyclododecanamine;2,3-dihydro-1H-inden-1-amine
CID 157151284

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The IUPAC name of (5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (CID 66560606) is (5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.
What is the SMILES notation for (5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The canonical SMILES for (5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is Cl.N[C@H]1CCc2ccccc2[C@@H](Cc2ccccc2)C1=O.
What is the InChIKey of (5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The InChIKey is RRXFQOUHQNJQEP-PPPUBMIESA-N. The full InChI is InChI=1S/C18H19NO.ClH/c19-17-11-10-14-8-4-5-9-15(14)16(18(17)20)12-13-6-2-1-3-7-13;/h1-9,16-17H,10-12,19H2;1H/t16-,17+;/m1./s1.
What are the key properties of (5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
(5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is sourced from PubChem (CID 66560606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).