1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole

C14H17N2+ — CID 3057984

IUPAC1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole
SMILESCn1cc(C=[N+]2CCCC2)c2ccccc21
InChIInChI=1S/C14H17N2/c1-15-10-12(11-16-8-4-5-9-16)13-6-2-3-7-14(13)15/h2-3,6-7,10-11H,4-5,8-9H2,1H3/q+1
InChIKeyQGBPQLVTZHTUNP-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.40
Rot. Bonds1

About 1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole

1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole (PubChem CID 3057984) has the molecular formula C14H17N2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole.

Molecular Properties

Compound Name1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole
PubChem CID3057984
Molecular FormulaC14H17N2+
Molecular Weight213.30 g/mol
Exact Mass213.14
IUPAC Name1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole
SMILESCn1cc(C=[N+]2CCCC2)c2ccccc21
InChIInChI=1S/C14H17N2/c1-15-10-12(11-16-8-4-5-9-16)13-6-2-3-7-14(13)15/h2-3,6-7,10-11H,4-5,8-9H2,1H3/q+1
InChIKeyQGBPQLVTZHTUNP-UHFFFAOYSA-N
XLogP2.40
TPSA7.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 58652160
CID 58652160
7-[(1-methylindol-3-yl)methylidene]-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,8-triene
CID 122209476
ethyl 2-[3-(pyrrolidin-1-ium-1-ylidenemethyl)indol-1-yl]acetate bromide
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3-(1,5-dihydropyrazol-4-ylidenemethyl)-1-methylindole
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1-methyl-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]indole
CID 130328005
(E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine
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CID 23295599

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole?
The IUPAC name of 1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole (CID 3057984) is 1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole.
What is the SMILES notation for 1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole?
The canonical SMILES for 1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole is Cn1cc(C=[N+]2CCCC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole?
The InChIKey is QGBPQLVTZHTUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2/c1-15-10-12(11-16-8-4-5-9-16)13-6-2-3-7-14(13)15/h2-3,6-7,10-11H,4-5,8-9H2,1H3/q+1.
What are the key properties of 1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole?
1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole has a molecular weight of 213.30 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyrrolidin-1-ium-1-ylidenemethyl)indole is sourced from PubChem (CID 3057984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).