ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate

C15H18N2O2 — CID 110711039

IUPACethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C15H18N2O2/c1-2-19-15(18)17-8-7-11(10-17)13-9-16-14-6-4-3-5-12(13)14/h3-6,9,11,16H,2,7-8,10H2,1H3
InChIKeyDVSPNMFCMVOLHH-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.11
Rot. Bonds2

About ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate

ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate (PubChem CID 110711039) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
PubChem CID110711039
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C15H18N2O2/c1-2-19-15(18)17-8-7-11(10-17)13-9-16-14-6-4-3-5-12(13)14/h3-6,9,11,16H,2,7-8,10H2,1H3
InChIKeyDVSPNMFCMVOLHH-UHFFFAOYSA-N
XLogP3.11
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110711034
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone
CID 113087750
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
CID 113087743
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 110711015
2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone
CID 113087756
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide
CID 134001798
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110711020
(2-ethoxy-6-methyl-3-pyridinyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 119047088
3-(3,4-dimethoxyphenyl)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 113087764

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate (CID 110711039) is ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate is CCOC(=O)N1CCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate?
The InChIKey is DVSPNMFCMVOLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-19-15(18)17-8-7-11(10-17)13-9-16-14-6-4-3-5-12(13)14/h3-6,9,11,16H,2,7-8,10H2,1H3.
What are the key properties of ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate?
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 110711039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).