2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone

C15H18N2O — CID 75502685

IUPAC2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
SMILESO=C(C(C1CC1)C1CC1)N1CCc2cnccc21
InChIInChI=1S/C15H18N2O/c18-15(14(10-1-2-10)11-3-4-11)17-8-6-12-9-16-7-5-13(12)17/h5,7,9-11,14H,1-4,6,8H2
InChIKeyQEANQHHSNAQRNB-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.41
Rot. Bonds3

About 2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone

2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone (PubChem CID 75502685) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
PubChem CID75502685
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
SMILESO=C(C(C1CC1)C1CC1)N1CCc2cnccc21
InChIInChI=1S/C15H18N2O/c18-15(14(10-1-2-10)11-3-4-11)17-8-6-12-9-16-7-5-13(12)17/h5,7,9-11,14H,1-4,6,8H2
InChIKeyQEANQHHSNAQRNB-UHFFFAOYSA-N
XLogP2.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 45086257
1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 99615668
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-hydroxypropan-1-one
CID 142479905
tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
CID 11020412
2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid
CID 117224007
2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(7-fluoroquinoxalin-5-yl)methanone
CID 75520175
2,3-dihydropyrrolo[3,2-c]pyridine-1-sulfonamide
CID 130666144
2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 75510227
[(2R)-4-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate
CID 174710238
2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone
CID 99576650
1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine
CID 99817972
(1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
CID 86803204

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
The IUPAC name of 2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone (CID 75502685) is 2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone.
What is the SMILES notation for 2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
The canonical SMILES for 2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone is O=C(C(C1CC1)C1CC1)N1CCc2cnccc21.
What is the InChIKey of 2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
The InChIKey is QEANQHHSNAQRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15(14(10-1-2-10)11-3-4-11)17-8-6-12-9-16-7-5-13(12)17/h5,7,9-11,14H,1-4,6,8H2.
What are the key properties of 2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone has a molecular weight of 242.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone is sourced from PubChem (CID 75502685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).