1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]

C12H16N2 — CID 3053084

IUPAC1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]
SMILESCN1CCC2(CNc3ccccc32)C1
InChIInChI=1S/C12H16N2/c1-14-7-6-12(9-14)8-13-11-5-3-2-4-10(11)12/h2-5,13H,6-9H2,1H3
InChIKeyBWJNOOGWEYJEEY-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.69
Rot. Bonds

About 1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]

1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine] (PubChem CID 3053084) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine].

Molecular Properties

Compound Name1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]
PubChem CID3053084
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]
SMILESCN1CCC2(CNc3ccccc32)C1
InChIInChI=1S/C12H16N2/c1-14-7-6-12(9-14)8-13-11-5-3-2-4-10(11)12/h2-5,13H,6-9H2,1H3
InChIKeyBWJNOOGWEYJEEY-UHFFFAOYSA-N
XLogP1.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,3,3-Trimethyl-2-methyleneindoline
CID 8351
2-Methylindoline
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2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-Methyl-2,3-dihydro-1H-indole
CID 55830
Stobadine
CID 108089
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
(+)-Aspidospermidine
CID 580281
demethyldebromoflustramine B
CID 11173982
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
(-)-Debromoflustramine B
CID 10403152

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]?
The IUPAC name of 1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine] (CID 3053084) is 1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine].
What is the SMILES notation for 1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]?
The canonical SMILES for 1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine] is CN1CCC2(CNc3ccccc32)C1.
What is the InChIKey of 1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]?
The InChIKey is BWJNOOGWEYJEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-14-7-6-12(9-14)8-13-11-5-3-2-4-10(11)12/h2-5,13H,6-9H2,1H3.
What are the key properties of 1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]?
1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine] has a molecular weight of 188.27 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine] is sourced from PubChem (CID 3053084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).