ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen

C18H28N2O2 — CID 171080006

IUPACethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen
SMILESCC.COC(=O)C1CCCN1CCc1c[nH]c2ccccc12.[H][H]
InChIInChI=1S/C16H20N2O2.C2H6.H2/c1-20-16(19)15-7-4-9-18(15)10-8-12-11-17-14-6-3-2-5-13(12)14;1-2;/h2-3,5-6,11,15,17H,4,7-10H2,1H3;1-2H3;1H
InChIKeyATZDPQQZGBCHCC-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.62
Rot. Bonds4

About ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen

ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen (PubChem CID 171080006) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nameethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen
PubChem CID171080006
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nameethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen
SMILESCC.COC(=O)C1CCCN1CCc1c[nH]c2ccccc12.[H][H]
InChIInChI=1S/C16H20N2O2.C2H6.H2/c1-20-16(19)15-7-4-9-18(15)10-8-12-11-17-14-6-3-2-5-13(12)14;1-2;/h2-3,5-6,11,15,17H,4,7-10H2,1H3;1-2H3;1H
InChIKeyATZDPQQZGBCHCC-UHFFFAOYSA-N
XLogP3.62
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate
CID 171080037
methyl (2R)-1-[3-(1H-indol-3-yl)-2-oxopropanoyl]pyrrolidine-2-carboxylate
CID 59968438
tert-butyl (2S)-1-(1H-indol-3-ylmethyl)piperidine-2-carboxylate
CID 110189012
1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile
CID 171079929
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 36769023
[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate
CID 70459591
(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 95196011
1-O-benzyl 2-O-[2-(1H-indol-3-yl)ethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 101244056
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen?
The IUPAC name of ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen (CID 171080006) is ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen.
What is the SMILES notation for ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen?
The canonical SMILES for ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen is CC.COC(=O)C1CCCN1CCc1c[nH]c2ccccc12.[H][H].
What is the InChIKey of ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen?
The InChIKey is ATZDPQQZGBCHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.C2H6.H2/c1-20-16(19)15-7-4-9-18(15)10-8-12-11-17-14-6-3-2-5-13(12)14;1-2;/h2-3,5-6,11,15,17H,4,7-10H2,1H3;1-2H3;1H.
What are the key properties of ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen?
ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen has a molecular weight of 304.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen is sourced from PubChem (CID 171080006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).