cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone

C13H16N2O — CID 121184511

IUPACcyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
SMILESO=C(C1CCCC1)N1Cc2cccnc2C1
InChIInChI=1S/C13H16N2O/c16-13(10-4-1-2-5-10)15-8-11-6-3-7-14-12(11)9-15/h3,6-7,10H,1-2,4-5,8-9H2
InChIKeyRNUPJRCMFQFBHK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.11
Rot. Bonds1

About cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone

cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone (PubChem CID 121184511) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
PubChem CID121184511
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Namecyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
SMILESO=C(C1CCCC1)N1Cc2cccnc2C1
InChIInChI=1S/C13H16N2O/c16-13(10-4-1-2-5-10)15-8-11-6-3-7-14-12(11)9-15/h3,6-7,10H,1-2,4-5,8-9H2
InChIKeyRNUPJRCMFQFBHK-UHFFFAOYSA-N
XLogP2.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
The IUPAC name of cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone (CID 121184511) is cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone.
What is the SMILES notation for cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
The canonical SMILES for cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone is O=C(C1CCCC1)N1Cc2cccnc2C1.
What is the InChIKey of cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
The InChIKey is RNUPJRCMFQFBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(10-4-1-2-5-10)15-8-11-6-3-7-14-12(11)9-15/h3,6-7,10H,1-2,4-5,8-9H2.
What are the key properties of cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone has a molecular weight of 216.28 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone is sourced from PubChem (CID 121184511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).