1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one

C11H12N2O — CID 102626397

IUPAC1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one
SMILESCCCC(=O)c1c[nH]c2ccncc12
InChIInChI=1S/C11H12N2O/c1-2-3-11(14)9-7-13-10-4-5-12-6-8(9)10/h4-7,13H,2-3H2,1H3
InChIKeyDKTYEUGLXFUGEL-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.55
Rot. Bonds3

About 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one

1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one (PubChem CID 102626397) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one
PubChem CID102626397
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one
SMILESCCCC(=O)c1c[nH]c2ccncc12
InChIInChI=1S/C11H12N2O/c1-2-3-11(14)9-7-13-10-4-5-12-6-8(9)10/h4-7,13H,2-3H2,1H3
InChIKeyDKTYEUGLXFUGEL-UHFFFAOYSA-N
XLogP2.55
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 102626478
(4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626646
(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626742
cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626384
ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine
CID 143713533
N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
CID 123424448
(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 106683904
(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626876
(1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626591
(2-fluoro-6-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626762
1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626680
(4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 114029204

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one?
The IUPAC name of 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one (CID 102626397) is 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one.
What is the SMILES notation for 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one?
The canonical SMILES for 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one is CCCC(=O)c1c[nH]c2ccncc12.
What is the InChIKey of 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one?
The InChIKey is DKTYEUGLXFUGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-3-11(14)9-7-13-10-4-5-12-6-8(9)10/h4-7,13H,2-3H2,1H3.
What are the key properties of 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one?
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one has a molecular weight of 188.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one is sourced from PubChem (CID 102626397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).