2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one

C11H13N3O — CID 67375660

IUPAC2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2nccnc12
InChIInChI=1S/C11H13N3O/c1-11(2,3)9(15)7-6-14-10-8(7)12-4-5-13-10/h4-6H,1-3H3,(H,13,14)
InChIKeySPDPUSCBRZDPHQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.19
Rot. Bonds1

About 2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one

2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one (PubChem CID 67375660) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one
PubChem CID67375660
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2nccnc12
InChIInChI=1S/C11H13N3O/c1-11(2,3)9(15)7-6-14-10-8(7)12-4-5-13-10/h4-6H,1-3H3,(H,13,14)
InChIKeySPDPUSCBRZDPHQ-UHFFFAOYSA-N
XLogP2.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one (CID 67375660) is 2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one is CC(C)(C)C(=O)c1c[nH]c2nccnc12.
What is the InChIKey of 2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one?
The InChIKey is SPDPUSCBRZDPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-11(2,3)9(15)7-6-14-10-8(7)12-4-5-13-10/h4-6H,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one?
2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one has a molecular weight of 203.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one is sourced from PubChem (CID 67375660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).