1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one

C12H14N2O2 — CID 66734443

IUPAC1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCOc1ccc2c(n1)N(C1CCC1)C(=O)C2
InChIInChI=1S/C12H14N2O2/c1-16-10-6-5-8-7-11(15)14(12(8)13-10)9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeySLSKRNNEZPKOSG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.53
Rot. Bonds2

About 1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one

1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 66734443) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID66734443
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCOc1ccc2c(n1)N(C1CCC1)C(=O)C2
InChIInChI=1S/C12H14N2O2/c1-16-10-6-5-8-7-11(15)14(12(8)13-10)9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeySLSKRNNEZPKOSG-UHFFFAOYSA-N
XLogP1.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 53193717
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CID 164678788
CID 164678788
CID 4791682
CID 4791682
CID 14739545
CID 14739545
CID 164630678
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CID 169085536
CID 169085536
CID 44543527
CID 44543527
CID 135072927
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CID 76847817
CID 76847817

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one (CID 66734443) is 1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one is COc1ccc2c(n1)N(C1CCC1)C(=O)C2.
What is the InChIKey of 1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is SLSKRNNEZPKOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-10-6-5-8-7-11(15)14(12(8)13-10)9-3-2-4-9/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one?
1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 66734443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).