1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone

C14H18N2O — CID 118008553

IUPAC1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CC(C2CCCN2)c2ccccc21
InChIInChI=1S/C14H18N2O/c1-10(17)16-9-12(13-6-4-8-15-13)11-5-2-3-7-14(11)16/h2-3,5,7,12-13,15H,4,6,8-9H2,1H3
InChIKeySJBJAPQSRYZZCI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.89
Rot. Bonds1

About 1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone

1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 118008553) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone
PubChem CID118008553
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CC(C2CCCN2)c2ccccc21
InChIInChI=1S/C14H18N2O/c1-10(17)16-9-12(13-6-4-8-15-13)11-5-2-3-7-14(11)16/h2-3,5,7,12-13,15H,4,6,8-9H2,1H3
InChIKeySJBJAPQSRYZZCI-UHFFFAOYSA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone (CID 118008553) is 1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CC(C2CCCN2)c2ccccc21.
What is the InChIKey of 1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is SJBJAPQSRYZZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(17)16-9-12(13-6-4-8-15-13)11-5-2-3-7-14(11)16/h2-3,5,7,12-13,15H,4,6,8-9H2,1H3.
What are the key properties of 1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone?
1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 230.31 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-2-yl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 118008553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).