[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone

C15H18N2O2 — CID 115775238

IUPAC[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC(CCO)C1
InChIInChI=1S/C15H18N2O2/c18-8-5-11-4-7-17(10-11)15(19)13-1-2-14-12(9-13)3-6-16-14/h1-3,6,9,11,16,18H,4-5,7-8,10H2
InChIKeyCGFVJZGYGHDFIE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.01
Rot. Bonds3

About [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 115775238) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID115775238
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC(CCO)C1
InChIInChI=1S/C15H18N2O2/c18-8-5-11-4-7-17(10-11)15(19)13-1-2-14-12(9-13)3-6-16-14/h1-3,6,9,11,16,18H,4-5,7-8,10H2
InChIKeyCGFVJZGYGHDFIE-UHFFFAOYSA-N
XLogP2.01
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 91768627
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 90586727
(4-amino-3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796674
(3-amino-4-fluorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796726
(3-fluorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746310
(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746304
(4aS,8aR)-1-(3-hydroxypropyl)-6-(1H-indole-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56913445
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 115746621
(4-amino-3-methoxyphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796729
[(5aS,9aR)-4-(cyclopropylmethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(1H-indol-5-yl)methanone
CID 124787744

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone (CID 115775238) is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone is O=C(c1ccc2[nH]ccc2c1)N1CCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is CGFVJZGYGHDFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-8-5-11-4-7-17(10-11)15(19)13-1-2-14-12(9-13)3-6-16-14/h1-3,6,9,11,16,18H,4-5,7-8,10H2.
What are the key properties of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 115775238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).