(3Z)-3-(1-methylpyrrolidin-2-ylidene)indole

C13H14N2 — CID 12932187

IUPAC(3Z)-3-(1-methylpyrrolidin-2-ylidene)indole
SMILESCN1CCC/C1=C1/C=Nc2ccccc21
InChIInChI=1S/C13H14N2/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3/b13-11+
InChIKeyHNNADWWHLOZSTI-ACCUITESSA-N
MW198.27 g/mol
LogP2.84
Rot. Bonds

About (3Z)-3-(1-methylpyrrolidin-2-ylidene)indole

(3Z)-3-(1-methylpyrrolidin-2-ylidene)indole (PubChem CID 12932187) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (3Z)-3-(1-methylpyrrolidin-2-ylidene)indole.

Molecular Properties

Compound Name(3Z)-3-(1-methylpyrrolidin-2-ylidene)indole
PubChem CID12932187
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name(3Z)-3-(1-methylpyrrolidin-2-ylidene)indole
SMILESCN1CCC/C1=C1/C=Nc2ccccc21
InChIInChI=1S/C13H14N2/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3/b13-11+
InChIKeyHNNADWWHLOZSTI-ACCUITESSA-N
XLogP2.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-methylpyrrolidin-2-ylidene)indole?
The IUPAC name of (3Z)-3-(1-methylpyrrolidin-2-ylidene)indole (CID 12932187) is (3Z)-3-(1-methylpyrrolidin-2-ylidene)indole.
What is the SMILES notation for (3Z)-3-(1-methylpyrrolidin-2-ylidene)indole?
The canonical SMILES for (3Z)-3-(1-methylpyrrolidin-2-ylidene)indole is CN1CCC/C1=C1/C=Nc2ccccc21.
What is the InChIKey of (3Z)-3-(1-methylpyrrolidin-2-ylidene)indole?
The InChIKey is HNNADWWHLOZSTI-ACCUITESSA-N. The full InChI is InChI=1S/C13H14N2/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3/b13-11+.
What are the key properties of (3Z)-3-(1-methylpyrrolidin-2-ylidene)indole?
(3Z)-3-(1-methylpyrrolidin-2-ylidene)indole has a molecular weight of 198.27 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-methylpyrrolidin-2-ylidene)indole is sourced from PubChem (CID 12932187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).