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

C14H16N2 — CID 125490831

IUPAC(3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole
SMILESCC1=Nc2ccccc2/C1=C1\CCCN1C
InChIInChI=1S/C14H16N2/c1-10-14(13-8-5-9-16(13)2)11-6-3-4-7-12(11)15-10/h3-4,6-7H,5,8-9H2,1-2H3/b14-13+
InChIKeyMRCOLKJIVPQFEX-BUHFOSPRSA-N
MW212.30 g/mol
LogP3.23
Rot. Bonds

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

(3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole (PubChem CID 125490831) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole.

Molecular Properties

Compound Name(3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole
PubChem CID125490831
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole
SMILESCC1=Nc2ccccc2/C1=C1\CCCN1C
InChIInChI=1S/C14H16N2/c1-10-14(13-8-5-9-16(13)2)11-6-3-4-7-12(11)15-10/h3-4,6-7H,5,8-9H2,1-2H3/b14-13+
InChIKeyMRCOLKJIVPQFEX-BUHFOSPRSA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole?
The IUPAC name of (3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole (CID 125490831) is (3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole.
What is the SMILES notation for (3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole?
The canonical SMILES for (3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole is CC1=Nc2ccccc2/C1=C1\CCCN1C.
What is the InChIKey of (3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole?
The InChIKey is MRCOLKJIVPQFEX-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-14(13-8-5-9-16(13)2)11-6-3-4-7-12(11)15-10/h3-4,6-7H,5,8-9H2,1-2H3/b14-13+.
What are the key properties of (3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole?
(3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole has a molecular weight of 212.30 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methyl-3-(1-methylpyrrolidin-2-ylidene)indole is sourced from PubChem (CID 125490831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).