2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

C20H28N2O3 — CID 72914357

IUPAC2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1
InChIInChI=1S/C20H28N2O3/c23-14-19-13-22(12-18(19)11-21-6-8-25-9-7-21)20(24)17-5-4-15-2-1-3-16(15)10-17/h4-5,10,18-19,23H,1-3,6-9,11-14H2/t18-,19-/m1/s1
InChIKeyKDQWBZQLIGGMLZ-RTBURBONSA-N
MW344.46 g/mol
LogP1.19
Rot. Bonds4

About 2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 72914357) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID72914357
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1
InChIInChI=1S/C20H28N2O3/c23-14-19-13-22(12-18(19)11-21-6-8-25-9-7-21)20(24)17-5-4-15-2-1-3-16(15)10-17/h4-5,10,18-19,23H,1-3,6-9,11-14H2/t18-,19-/m1/s1
InChIKeyKDQWBZQLIGGMLZ-RTBURBONSA-N
XLogP1.19
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 72914357) is 2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc2c(c1)CCC2)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is KDQWBZQLIGGMLZ-RTBURBONSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-14-19-13-22(12-18(19)11-21-6-8-25-9-7-21)20(24)17-5-4-15-2-1-3-16(15)10-17/h4-5,10,18-19,23H,1-3,6-9,11-14H2/t18-,19-/m1/s1.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 72914357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).