spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride

C18H20ClN — CID 45262581

IUPACspiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride
SMILESCl.c1ccc2c(c1)CCCCC21NCc2ccccc21
InChIInChI=1S/C18H19N.ClH/c1-3-10-16-14(7-1)8-5-6-12-18(16)17-11-4-2-9-15(17)13-19-18;/h1-4,7,9-11,19H,5-6,8,12-13H2;1H
InChIKeySIWZOADKACJEKK-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.18
Rot. Bonds

About spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride

spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride (PubChem CID 45262581) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride.

Molecular Properties

Compound Namespiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride
PubChem CID45262581
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Namespiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride
SMILESCl.c1ccc2c(c1)CCCCC21NCc2ccccc21
InChIInChI=1S/C18H19N.ClH/c1-3-10-16-14(7-1)8-5-6-12-18(16)17-11-4-2-9-15(17)13-19-18;/h1-4,7,9-11,19H,5-6,8,12-13H2;1H
InChIKeySIWZOADKACJEKK-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride with MolForge

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Related Compounds

spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
CID 91557907
(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 96851281
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
3'-(2-phenoxyethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 18074717
(5R)-3'-(2-chloroprop-2-enyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 41258996
3'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 42964488
3'-[(4-bromophenyl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 42964276
5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 60793660
3'-[(4-tert-butylphenyl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 18228444
5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 80604311
(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 86311934
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride?
The IUPAC name of spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride (CID 45262581) is spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride.
What is the SMILES notation for spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride?
The canonical SMILES for spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride is Cl.c1ccc2c(c1)CCCCC21NCc2ccccc21.
What is the InChIKey of spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride?
The InChIKey is SIWZOADKACJEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.ClH/c1-3-10-16-14(7-1)8-5-6-12-18(16)17-11-4-2-9-15(17)13-19-18;/h1-4,7,9-11,19H,5-6,8,12-13H2;1H.
What are the key properties of spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride?
spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 4.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride is sourced from PubChem (CID 45262581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).