1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one

C13H18N2O — CID 75502689

IUPAC1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCc2cnccc21
InChIInChI=1S/C13H18N2O/c1-4-13(2,3)12(16)15-8-6-10-9-14-7-5-11(10)15/h5,7,9H,4,6,8H2,1-3H3
InChIKeyBIJJSKJWYLOUJM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.41
Rot. Bonds2

About 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one

1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one (PubChem CID 75502689) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one
PubChem CID75502689
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCc2cnccc21
InChIInChI=1S/C13H18N2O/c1-4-13(2,3)12(16)15-8-6-10-9-14-7-5-11(10)15/h5,7,9H,4,6,8H2,1-3H3
InChIKeyBIJJSKJWYLOUJM-UHFFFAOYSA-N
XLogP2.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one?
The IUPAC name of 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one (CID 75502689) is 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)N1CCc2cnccc21.
What is the InChIKey of 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one?
The InChIKey is BIJJSKJWYLOUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-13(2,3)12(16)15-8-6-10-9-14-7-5-11(10)15/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one?
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylbutan-1-one is sourced from PubChem (CID 75502689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).