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

C11H14ClNO — CID 71453803

IUPAC(7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.N[C@H]1CCc2ccccc2CC1=O
InChIInChI=1S/C11H13NO.ClH/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13;/h1-4,10H,5-7,12H2;1H/t10-;/m0./s1
InChIKeyYGGOSFPNPAAKEW-PPHPATTJSA-N
MW211.69 g/mol
LogP1.49
Rot. Bonds

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

(7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (PubChem CID 71453803) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.

Molecular Properties

Compound Name(7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
PubChem CID71453803
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.N[C@H]1CCc2ccccc2CC1=O
InChIInChI=1S/C11H13NO.ClH/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13;/h1-4,10H,5-7,12H2;1H/t10-;/m0./s1
InChIKeyYGGOSFPNPAAKEW-PPHPATTJSA-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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Related Compounds

7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 24975348
(7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one
CID 159433831
(NZ)-N-(7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)hydroxylamine
CID 53326222
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
(5R,7S)-7-amino-5-benzyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 66560606
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 122183618
7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 122183620
benzene;1,2,3,4-tetrahydronaphthalen-2-amine
CID 66647094
(5S,7S)-7-amino-5-benzylsulfanyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 66560596
2-amino-4H-chromen-3-one
CID 154487259

Frequently Asked Questions

What is the IUPAC name of (7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The IUPAC name of (7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (CID 71453803) is (7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.
What is the SMILES notation for (7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The canonical SMILES for (7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is Cl.N[C@H]1CCc2ccccc2CC1=O.
What is the InChIKey of (7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The InChIKey is YGGOSFPNPAAKEW-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13NO.ClH/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13;/h1-4,10H,5-7,12H2;1H/t10-;/m0./s1.
What are the key properties of (7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
(7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-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 (7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is sourced from PubChem (CID 71453803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).