ethane;3-methylidene-1,2-dihydroisoindole

C11H15N — CID 178059907

IUPACethane;3-methylidene-1,2-dihydroisoindole
SMILESC=C1NCc2ccccc21.CC
InChIInChI=1S/C9H9N.C2H6/c1-7-9-5-3-2-4-8(9)6-10-7;1-2/h2-5,10H,1,6H2;1-2H3
InChIKeyNYFZNCJLZOYHQS-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.79
Rot. Bonds

About ethane;3-methylidene-1,2-dihydroisoindole

ethane;3-methylidene-1,2-dihydroisoindole (PubChem CID 178059907) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is ethane;3-methylidene-1,2-dihydroisoindole.

Molecular Properties

Compound Nameethane;3-methylidene-1,2-dihydroisoindole
PubChem CID178059907
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Nameethane;3-methylidene-1,2-dihydroisoindole
SMILESC=C1NCc2ccccc21.CC
InChIInChI=1S/C9H9N.C2H6/c1-7-9-5-3-2-4-8(9)6-10-7;1-2/h2-5,10H,1,6H2;1-2H3
InChIKeyNYFZNCJLZOYHQS-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-methylidene-1,2-dihydroisoindole
CID 137483328
2,3-dihydroisoindol-1-one;methane
CID 161271775
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3,4-ditert-butyl-1,2-dihydroisoquinoline
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CID 155745422
9,10-dihydrophenanthrene;ethane
CID 143759681
2,3-dihydroisoindol-1-one;isoindole-1,3-dione
CID 68591479
(11Z)-11-[amino(methyl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine;ethane
CID 144590222
4-(dimethylaminomethylidene)-1,2-dihydroisoquinolin-3-one
CID 68694593
4,11-dimethyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8(13),9,11,16,18-nonaene
CID 176729886
ethane;2-methylidene-1,3-dihydroindole
CID 91594681
2-methylidene-3,4-dihydro-1H-quinazoline
CID 59114609

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylidene-1,2-dihydroisoindole?
The IUPAC name of ethane;3-methylidene-1,2-dihydroisoindole (CID 178059907) is ethane;3-methylidene-1,2-dihydroisoindole.
What is the SMILES notation for ethane;3-methylidene-1,2-dihydroisoindole?
The canonical SMILES for ethane;3-methylidene-1,2-dihydroisoindole is C=C1NCc2ccccc21.CC.
What is the InChIKey of ethane;3-methylidene-1,2-dihydroisoindole?
The InChIKey is NYFZNCJLZOYHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C2H6/c1-7-9-5-3-2-4-8(9)6-10-7;1-2/h2-5,10H,1,6H2;1-2H3.
What are the key properties of ethane;3-methylidene-1,2-dihydroisoindole?
ethane;3-methylidene-1,2-dihydroisoindole has a molecular weight of 161.25 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidene-1,2-dihydroisoindole is sourced from PubChem (CID 178059907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).