2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone

C12H12N2O — CID 102626478

IUPAC2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
SMILESO=C(CC1CC1)c1c[nH]c2ccncc12
InChIInChI=1S/C12H12N2O/c15-12(5-8-1-2-8)10-7-14-11-3-4-13-6-9(10)11/h3-4,6-8,14H,1-2,5H2
InChIKeyKPNRRUSCUYABMZ-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.55
Rot. Bonds3

About 2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone

2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone (PubChem CID 102626478) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
PubChem CID102626478
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
SMILESO=C(CC1CC1)c1c[nH]c2ccncc12
InChIInChI=1S/C12H12N2O/c15-12(5-8-1-2-8)10-7-14-11-3-4-13-6-9(10)11/h3-4,6-8,14H,1-2,5H2
InChIKeyKPNRRUSCUYABMZ-UHFFFAOYSA-N
XLogP2.55
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one
CID 102626397
cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626384
2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63553709
oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626691
1-(5-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162405
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile
CID 107916707
1-(6-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162463
(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626876
2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
CID 114457331
(1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626591
N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
CID 123424448

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone (CID 102626478) is 2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone is O=C(CC1CC1)c1c[nH]c2ccncc12.
What is the InChIKey of 2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone?
The InChIKey is KPNRRUSCUYABMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12(5-8-1-2-8)10-7-14-11-3-4-13-6-9(10)11/h3-4,6-8,14H,1-2,5H2.
What are the key properties of 2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone?
2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone has a molecular weight of 200.24 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 2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone is sourced from PubChem (CID 102626478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).