6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]

C15H22NO2+ — CID 6921066

IUPAC6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]
SMILESCOc1cc2c(cc1OC)C1(CCCC1)C[NH2+]C2
InChIInChI=1S/C15H21NO2/c1-17-13-7-11-9-16-10-15(5-3-4-6-15)12(11)8-14(13)18-2/h7-8,16H,3-6,9-10H2,1-2H3/p+1
InChIKeyXYJMWHOOHCGMMD-UHFFFAOYSA-O
MW248.35 g/mol
LogP1.59
Rot. Bonds2

About 6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]

6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane] (PubChem CID 6921066) has the molecular formula C15H22NO2+ and a molecular weight of 248.35 g/mol. Its IUPAC name is 6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane].

Molecular Properties

Compound Name6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]
PubChem CID6921066
Molecular FormulaC15H22NO2+
Molecular Weight248.35 g/mol
Exact Mass248.16
IUPAC Name6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]
SMILESCOc1cc2c(cc1OC)C1(CCCC1)C[NH2+]C2
InChIInChI=1S/C15H21NO2/c1-17-13-7-11-9-16-10-15(5-3-4-6-15)12(11)8-14(13)18-2/h7-8,16H,3-6,9-10H2,1-2H3/p+1
InChIKeyXYJMWHOOHCGMMD-UHFFFAOYSA-O
XLogP1.59
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane] with MolForge

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Related Compounds

6,7-dimethoxy-2-prop-2-ynylspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]
CID 3956257
6,7-dimethoxy-2-prop-2-ynylspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane];hydrochloride
CID 44827817
(1S)-6,7-dimethoxy-1-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 749901
6,7-dimethoxy-2-(2-methoxyethylsulfonyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]
CID 110619072
5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol
CID 59818056
5,6-dimethoxyspiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 105457553
4,5,13,14,19,20-hexamethoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11,13,15,17,19,21-nonaene
CID 11605307
(1R)-6,7-dimethoxy-1-(4-nitrophenyl)spiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]
CID 6966447
ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
CID 142271097
(2S)-1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-piperidin-1-ium-1-ylpropan-1-one
CID 7453280
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]-2-yl)-(oxolan-2-yl)methanone
CID 110428590

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]?
The IUPAC name of 6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane] (CID 6921066) is 6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane].
What is the SMILES notation for 6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]?
The canonical SMILES for 6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane] is COc1cc2c(cc1OC)C1(CCCC1)C[NH2+]C2.
What is the InChIKey of 6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]?
The InChIKey is XYJMWHOOHCGMMD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21NO2/c1-17-13-7-11-9-16-10-15(5-3-4-6-15)12(11)8-14(13)18-2/h7-8,16H,3-6,9-10H2,1-2H3/p+1.
What are the key properties of 6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]?
6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane] has a molecular weight of 248.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane] is sourced from PubChem (CID 6921066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).