3-pyrrolidin-1-yl-1H-indol-2-olate

C12H13N2O- — CID 134860496

IUPAC3-pyrrolidin-1-yl-1H-indol-2-olate
SMILES[O-]c1[nH]c2ccccc2c1N1CCCC1
InChIInChI=1S/C12H14N2O/c15-12-11(14-7-3-4-8-14)9-5-1-2-6-10(9)13-12/h1-2,5-6,13,15H,3-4,7-8H2/p-1
InChIKeyLZPPMPXBKGVCRL-UHFFFAOYSA-M
MW201.25 g/mol
LogP1.84
Rot. Bonds1

About 3-pyrrolidin-1-yl-1H-indol-2-olate

3-pyrrolidin-1-yl-1H-indol-2-olate (PubChem CID 134860496) has the molecular formula C12H13N2O- and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-1H-indol-2-olate.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-1H-indol-2-olate
PubChem CID134860496
Molecular FormulaC12H13N2O-
Molecular Weight201.25 g/mol
Exact Mass201.10
IUPAC Name3-pyrrolidin-1-yl-1H-indol-2-olate
SMILES[O-]c1[nH]c2ccccc2c1N1CCCC1
InChIInChI=1S/C12H14N2O/c15-12-11(14-7-3-4-8-14)9-5-1-2-6-10(9)13-12/h1-2,5-6,13,15H,3-4,7-8H2/p-1
InChIKeyLZPPMPXBKGVCRL-UHFFFAOYSA-M
XLogP1.84
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one
CID 135464161
ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
CID 913206
2-piperidin-1-yl-1H-quinazoline-4-thione
CID 53364718
2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole
CID 66917393
3-(azocan-1-yl)-1H-indazole
CID 178043244
9H-carbazole
CID 66668984
3-diazonio-1H-indol-2-olate
CID 555022
1-(2,4-dibromonaphthalen-1-yl)pyrrolidine
CID 69226241
1-(3,4,5,6-tetrahydro-2H-azepino[3,2-b]indol-1-yl)ethanone
CID 24974790
bis(9H-carbazole);platinum(2+)
CID 175826437
9H-carbazole;copper
CID 159878189
4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one
CID 163971769

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-1H-indol-2-olate?
The IUPAC name of 3-pyrrolidin-1-yl-1H-indol-2-olate (CID 134860496) is 3-pyrrolidin-1-yl-1H-indol-2-olate.
What is the SMILES notation for 3-pyrrolidin-1-yl-1H-indol-2-olate?
The canonical SMILES for 3-pyrrolidin-1-yl-1H-indol-2-olate is [O-]c1[nH]c2ccccc2c1N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-yl-1H-indol-2-olate?
The InChIKey is LZPPMPXBKGVCRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N2O/c15-12-11(14-7-3-4-8-14)9-5-1-2-6-10(9)13-12/h1-2,5-6,13,15H,3-4,7-8H2/p-1.
What are the key properties of 3-pyrrolidin-1-yl-1H-indol-2-olate?
3-pyrrolidin-1-yl-1H-indol-2-olate has a molecular weight of 201.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-1H-indol-2-olate is sourced from PubChem (CID 134860496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).