[(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone

C17H22N2O2 — CID 124860257

IUPAC[(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
SMILESO=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c20-12-9-14(18-10-12)16(21)19-11-17(7-3-4-8-17)13-5-1-2-6-15(13)19/h1-2,5-6,12,14,18,20H,3-4,7-11H2/t12-,14-/m0/s1
InChIKeyAQXGWCXECJTIAE-JSGCOSHPSA-N
MW286.38 g/mol
LogP1.57
Rot. Bonds1

About [(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone

[(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone (PubChem CID 124860257) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
PubChem CID124860257
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
SMILESO=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c20-12-9-14(18-10-12)16(21)19-11-17(7-3-4-8-17)13-5-1-2-6-15(13)19/h1-2,5-6,12,14,18,20H,3-4,7-11H2/t12-,14-/m0/s1
InChIKeyAQXGWCXECJTIAE-JSGCOSHPSA-N
XLogP1.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone with MolForge

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Related Compounds

[(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
CID 124860256
spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone
CID 110750187
piperidin-3-yl(spiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119329090
spiro[2H-indole-3,1'-cyclopropane]-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119328064
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
morpholin-2-yl(spiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119793377
cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 124727159
(3,3-diphenylpiperidin-1-yl)-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 72918423
[(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
CID 120634057
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
CID 110750758
3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride
CID 120501177

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone?
The IUPAC name of [(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone (CID 124860257) is [(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone?
The canonical SMILES for [(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone is O=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCC2)c2ccccc21.
What is the InChIKey of [(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone?
The InChIKey is AQXGWCXECJTIAE-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-12-9-14(18-10-12)16(21)19-11-17(7-3-4-8-17)13-5-1-2-6-15(13)19/h1-2,5-6,12,14,18,20H,3-4,7-11H2/t12-,14-/m0/s1.
What are the key properties of [(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone?
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone has a molecular weight of 286.38 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone is sourced from PubChem (CID 124860257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).