2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline

C19H19NO — CID 134900626

IUPAC2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESC=C1c2ccccc2COC1N1CCc2ccccc2C1
InChIInChI=1S/C19H19NO/c1-14-18-9-5-4-8-17(18)13-21-19(14)20-11-10-15-6-2-3-7-16(15)12-20/h2-9,19H,1,10-13H2
InChIKeyOGNIKCDLTMUPSB-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.61
Rot. Bonds1

About 2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline

2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 134900626) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID134900626
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESC=C1c2ccccc2COC1N1CCc2ccccc2C1
InChIInChI=1S/C19H19NO/c1-14-18-9-5-4-8-17(18)13-21-19(14)20-11-10-15-6-2-3-7-16(15)12-20/h2-9,19H,1,10-13H2
InChIKeyOGNIKCDLTMUPSB-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(Diphenylmethoxy)ethyl]-1-[(4-iodophenyl)methyl]piperidine
CID 9914327
1'-Benzylspiro[isochroman-1,4'-piperidine]
CID 10266413
1-Benzyl-4-(2-(diphenylmethoxy)ethyl)piperidine
CID 9952105
4-(2-Benzhydryloxy-ethyl)-1-(3-fluoro-benzyl)-piperidine
CID 10179326
4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-piperidine
CID 10739933
4-Benzhydryloxymethyl-1-benzyl-piperidine
CID 10761755
1''-benzylspiro[1H-isochromene-1,4''-(hexahydropyridine)]
CID 11143217
1-(4-Fluoro-benzyl)-4-[2-(1-phenyl-ethoxy)-ethyl]-piperidine
CID 9924118
1'-Benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-carbonitrile
CID 10064484
4-(2-Benzhydryloxy-ethyl)-1-(4-vinyl-benzyl)-piperidine
CID 10431768
1'-Benzyl-3-ethylspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 10903339
2-(1'-Benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)acetonitrile
CID 10936501

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline (CID 134900626) is 2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline is C=C1c2ccccc2COC1N1CCc2ccccc2C1.
What is the InChIKey of 2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is OGNIKCDLTMUPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-18-9-5-4-8-17(18)13-21-19(14)20-11-10-15-6-2-3-7-16(15)12-20/h2-9,19H,1,10-13H2.
What are the key properties of 2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline?
2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 277.37 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylidene-1H-isochromen-3-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 134900626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).