methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate

C17H22N2O3 — CID 150365162

IUPACmethyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(OC3CCN(C(C)C)C3)ccc2[nH]1
InChIInChI=1S/C17H22N2O3/c1-11(2)19-7-6-14(10-19)22-13-4-5-15-12(8-13)9-16(18-15)17(20)21-3/h4-5,8-9,11,14,18H,6-7,10H2,1-3H3
InChIKeyGWNWHOPQDUSKMD-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.82
Rot. Bonds4

About methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate

methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate (PubChem CID 150365162) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate
PubChem CID150365162
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namemethyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(OC3CCN(C(C)C)C3)ccc2[nH]1
InChIInChI=1S/C17H22N2O3/c1-11(2)19-7-6-14(10-19)22-13-4-5-15-12(8-13)9-16(18-15)17(20)21-3/h4-5,8-9,11,14,18H,6-7,10H2,1-3H3
InChIKeyGWNWHOPQDUSKMD-UHFFFAOYSA-N
XLogP2.82
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69283170
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69282604
1-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carbonyl]piperidine-4-carboxamide
CID 69283945
(4-fluorophenyl)sulfonyl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 87759520
N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide
CID 90889256
[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 69282977
4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine
CID 142686536
[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 69283299
methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-1H-indole-2-carboxylate
CID 53487119
[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone
CID 69071505
N-(1-cyclopropyl-2-methoxyethyl)-6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinoline-2-carboxamide
CID 11703970

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate (CID 150365162) is methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate is COC(=O)c1cc2cc(OC3CCN(C(C)C)C3)ccc2[nH]1.
What is the InChIKey of methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate?
The InChIKey is GWNWHOPQDUSKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11(2)19-7-6-14(10-19)22-13-4-5-15-12(8-13)9-16(18-15)17(20)21-3/h4-5,8-9,11,14,18H,6-7,10H2,1-3H3.
What are the key properties of methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate?
methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate is sourced from PubChem (CID 150365162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).