N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide

C12H15N3O2 — CID 164631053

IUPACN-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCc2ccncc21
InChIInChI=1S/C12H15N3O2/c1-8(14-9(2)16)12(17)15-6-4-10-3-5-13-7-11(10)15/h3,5,7-8H,4,6H2,1-2H3,(H,14,16)/t8-/m0/s1
InChIKeyYPQFBJUOTHLPJZ-QMMMGPOBSA-N
MW233.27 g/mol
LogP0.50
Rot. Bonds2

About N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide

N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 164631053) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide
PubChem CID164631053
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCc2ccncc21
InChIInChI=1S/C12H15N3O2/c1-8(14-9(2)16)12(17)15-6-4-10-3-5-13-7-11(10)15/h3,5,7-8H,4,6H2,1-2H3,(H,14,16)/t8-/m0/s1
InChIKeyYPQFBJUOTHLPJZ-QMMMGPOBSA-N
XLogP0.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide (CID 164631053) is N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide is CC(=O)N[C@@H](C)C(=O)N1CCc2ccncc21.
What is the InChIKey of N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is YPQFBJUOTHLPJZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(14-9(2)16)12(17)15-6-4-10-3-5-13-7-11(10)15/h3,5,7-8H,4,6H2,1-2H3,(H,14,16)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide?
N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 164631053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).