(3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol

C17H24N2O2 — CID 30733488

IUPAC(3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(C2Cc3ccccc3C2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C17H24N2O2/c20-17-12-19(11-16(17)18-5-7-21-8-6-18)15-9-13-3-1-2-4-14(13)10-15/h1-4,15-17,20H,5-12H2/t16-,17-/m0/s1
InChIKeyKSMWJRIEQOAWEU-IRXDYDNUSA-N
MW288.39 g/mol
LogP0.53
Rot. Bonds2

About (3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol

(3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol (PubChem CID 30733488) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol
PubChem CID30733488
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(C2Cc3ccccc3C2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C17H24N2O2/c20-17-12-19(11-16(17)18-5-7-21-8-6-18)15-9-13-3-1-2-4-14(13)10-15/h1-4,15-17,20H,5-12H2/t16-,17-/m0/s1
InChIKeyKSMWJRIEQOAWEU-IRXDYDNUSA-N
XLogP0.53
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol (CID 30733488) is (3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol is O[C@H]1CN(C2Cc3ccccc3C2)C[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol?
The InChIKey is KSMWJRIEQOAWEU-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17-12-19(11-16(17)18-5-7-21-8-6-18)15-9-13-3-1-2-4-14(13)10-15/h1-4,15-17,20H,5-12H2/t16-,17-/m0/s1.
What are the key properties of (3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol?
(3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol has a molecular weight of 288.39 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-morpholin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 30733488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).