(E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one

C15H19N3O — CID 158955924

IUPAC(E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one
SMILESCC(=O)/C=C/Cc1c[nH]c2ncc(CC(C)C)nc12
InChIInChI=1S/C15H19N3O/c1-10(2)7-13-9-17-15-14(18-13)12(8-16-15)6-4-5-11(3)19/h4-5,8-10H,6-7H2,1-3H3,(H,16,17)/b5-4+
InChIKeyJLZTWIADYHQNAE-SNAWJCMRSA-N
MW257.34 g/mol
LogP2.84
Rot. Bonds5

About (E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one

(E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one (PubChem CID 158955924) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one
PubChem CID158955924
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one
SMILESCC(=O)/C=C/Cc1c[nH]c2ncc(CC(C)C)nc12
InChIInChI=1S/C15H19N3O/c1-10(2)7-13-9-17-15-14(18-13)12(8-16-15)6-4-5-11(3)19/h4-5,8-10H,6-7H2,1-3H3,(H,16,17)/b5-4+
InChIKeyJLZTWIADYHQNAE-SNAWJCMRSA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one?
The IUPAC name of (E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one (CID 158955924) is (E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one.
What is the SMILES notation for (E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one?
The canonical SMILES for (E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one is CC(=O)/C=C/Cc1c[nH]c2ncc(CC(C)C)nc12.
What is the InChIKey of (E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one?
The InChIKey is JLZTWIADYHQNAE-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)7-13-9-17-15-14(18-13)12(8-16-15)6-4-5-11(3)19/h4-5,8-10H,6-7H2,1-3H3,(H,16,17)/b5-4+.
What are the key properties of (E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one?
(E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one is sourced from PubChem (CID 158955924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).