1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one

C16H21N3O2 — CID 99615668

IUPAC1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCc2cnccc21
InChIInChI=1S/C16H21N3O2/c1-11(2)15(20)18-8-3-4-14(18)16(21)19-9-6-12-10-17-7-5-13(12)19/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3/t14-/m1/s1
InChIKeyOYGHXTPAWWNHAE-CQSZACIVSA-N
MW287.36 g/mol
LogP1.62
Rot. Bonds2

About 1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one

1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 99615668) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID99615668
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCc2cnccc21
InChIInChI=1S/C16H21N3O2/c1-11(2)15(20)18-8-3-4-14(18)16(21)19-9-6-12-10-17-7-5-13(12)19/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3/t14-/m1/s1
InChIKeyOYGHXTPAWWNHAE-CQSZACIVSA-N
XLogP1.62
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 99615668) is 1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCc2cnccc21.
What is the InChIKey of 1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is OYGHXTPAWWNHAE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)15(20)18-8-3-4-14(18)16(21)19-9-6-12-10-17-7-5-13(12)19/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 287.36 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 99615668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).