ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate

C15H20N2O2 — CID 110316008

IUPACethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1CCc2cc(N3CCCC3)ccc21
InChIInChI=1S/C15H20N2O2/c1-2-19-15(18)17-10-7-12-11-13(5-6-14(12)17)16-8-3-4-9-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeyXNQMXTCPBJKPSL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.81
Rot. Bonds2

About ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate

ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate (PubChem CID 110316008) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
PubChem CID110316008
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1CCc2cc(N3CCCC3)ccc21
InChIInChI=1S/C15H20N2O2/c1-2-19-15(18)17-10-7-12-11-13(5-6-14(12)17)16-8-3-4-9-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeyXNQMXTCPBJKPSL-UHFFFAOYSA-N
XLogP2.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315984
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110316014
(3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110316006
N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide
CID 110316012
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one
CID 28707300
ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 110406411
ethyl 1-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxypyrazole-3-carboxylate
CID 705920
1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole
CID 110316058
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682

Frequently Asked Questions

What is the IUPAC name of ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate (CID 110316008) is ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate is CCOC(=O)N1CCc2cc(N3CCCC3)ccc21.
What is the InChIKey of ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate?
The InChIKey is XNQMXTCPBJKPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-19-15(18)17-10-7-12-11-13(5-6-14(12)17)16-8-3-4-9-16/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate?
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 110316008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).