oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

C12H12N2O2 — CID 102626691

IUPACoxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2ccncc12)C1CCOC1
InChIInChI=1S/C12H12N2O2/c15-12(8-2-4-16-7-8)10-6-14-11-1-3-13-5-9(10)11/h1,3,5-6,8,14H,2,4,7H2
InChIKeyLISUQZLQTWKXMD-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.78
Rot. Bonds2

About oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (PubChem CID 102626691) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
PubChem CID102626691
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Nameoxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2ccncc12)C1CCOC1
InChIInChI=1S/C12H12N2O2/c15-12(8-2-4-16-7-8)10-6-14-11-1-3-13-5-9(10)11/h1,3,5-6,8,14H,2,4,7H2
InChIKeyLISUQZLQTWKXMD-UHFFFAOYSA-N
XLogP1.78
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-3-yl(oxolan-3-yl)methanone
CID 61272977
cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626384
(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone
CID 61272790
2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 102626478
(3-chloro-4-pyridinyl)-(oxan-3-yl)methanone
CID 107138539
3-(oxane-4-carbonyl)-1H-indole-5-carbonitrile
CID 114015925
piperidin-3-yl(1H-pyrrolo[2,3-c]pyridin-3-yl)methanone
CID 84692750
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one
CID 102626397
(2-methyltriazol-4-yl)-(oxolan-3-yl)methanone
CID 130521398
(5-amino-1H-pyrazol-4-yl)-(oxolan-3-yl)methanone
CID 65360438
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 106683904

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The IUPAC name of oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (CID 102626691) is oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.
What is the SMILES notation for oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The canonical SMILES for oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is O=C(c1c[nH]c2ccncc12)C1CCOC1.
What is the InChIKey of oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The InChIKey is LISUQZLQTWKXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(8-2-4-16-7-8)10-6-14-11-1-3-13-5-9(10)11/h1,3,5-6,8,14H,2,4,7H2.
What are the key properties of oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone has a molecular weight of 216.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is sourced from PubChem (CID 102626691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).