6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one

C11H14N2O — CID 129129649

IUPAC6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCc1cc2[nH]cc(C(C)C)c2[nH]c1=O
InChIInChI=1S/C11H14N2O/c1-6(2)8-5-12-9-4-7(3)11(14)13-10(8)9/h4-6,12H,1-3H3,(H,13,14)
InChIKeyKRMQRFMXQPVBLS-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.29
Rot. Bonds1

About 6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one

6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one (PubChem CID 129129649) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
PubChem CID129129649
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCc1cc2[nH]cc(C(C)C)c2[nH]c1=O
InChIInChI=1S/C11H14N2O/c1-6(2)8-5-12-9-4-7(3)11(14)13-10(8)9/h4-6,12H,1-3H3,(H,13,14)
InChIKeyKRMQRFMXQPVBLS-UHFFFAOYSA-N
XLogP2.29
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The IUPAC name of 6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one (CID 129129649) is 6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one.
What is the SMILES notation for 6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The canonical SMILES for 6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one is Cc1cc2[nH]cc(C(C)C)c2[nH]c1=O.
What is the InChIKey of 6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The InChIKey is KRMQRFMXQPVBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-6(2)8-5-12-9-4-7(3)11(14)13-10(8)9/h4-6,12H,1-3H3,(H,13,14).
What are the key properties of 6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one?
6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one has a molecular weight of 190.25 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 129129649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).