3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole

C14H20N2 — CID 155936115

IUPAC3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole
SMILESC[C@@H]1CCCN1C=C1C=NC2=C1CCCC2
InChIInChI=1S/C14H20N2/c1-11-5-4-8-16(11)10-12-9-15-14-7-3-2-6-13(12)14/h9-11H,2-8H2,1H3/t11-/m1/s1
InChIKeyIXHFFFZQMNJZII-LLVKDONJSA-N
MW216.33 g/mol
LogP3.27
Rot. Bonds1

About 3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole

3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole (PubChem CID 155936115) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole.

Molecular Properties

Compound Name3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole
PubChem CID155936115
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole
SMILESC[C@@H]1CCCN1C=C1C=NC2=C1CCCC2
InChIInChI=1S/C14H20N2/c1-11-5-4-8-16(11)10-12-9-15-14-7-3-2-6-13(12)14/h9-11H,2-8H2,1H3/t11-/m1/s1
InChIKeyIXHFFFZQMNJZII-LLVKDONJSA-N
XLogP3.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dipropyl-5,6-dihydrocyclopenta[f]isoindol-6-amine
CID 140994193
3-cyclopenta-2,4-dien-1-ylidene-4-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4H-pyridine
CID 156023895
11-Propan-2-yl-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
CID 157238451

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole?
The IUPAC name of 3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole (CID 155936115) is 3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole.
What is the SMILES notation for 3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole?
The canonical SMILES for 3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole is C[C@@H]1CCCN1C=C1C=NC2=C1CCCC2.
What is the InChIKey of 3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole?
The InChIKey is IXHFFFZQMNJZII-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-5-4-8-16(11)10-12-9-15-14-7-3-2-6-13(12)14/h9-11H,2-8H2,1H3/t11-/m1/s1.
What are the key properties of 3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole?
3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole has a molecular weight of 216.33 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]-4,5,6,7-tetrahydroindole is sourced from PubChem (CID 155936115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).