N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide

C9H8N4O — CID 172683300

IUPACN-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cnc2[nH]ccc2n1
InChIInChI=1S/C9H8N4O/c1-2-8(14)13-7-5-11-9-6(12-7)3-4-10-9/h2-5H,1H2,(H,10,11)(H,12,13,14)
InChIKeySREAEHGVCFPXJT-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.08
Rot. Bonds2

About N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide

N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide (PubChem CID 172683300) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide
PubChem CID172683300
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC NameN-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cnc2[nH]ccc2n1
InChIInChI=1S/C9H8N4O/c1-2-8(14)13-7-5-11-9-6(12-7)3-4-10-9/h2-5H,1H2,(H,10,11)(H,12,13,14)
InChIKeySREAEHGVCFPXJT-UHFFFAOYSA-N
XLogP1.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.08
H-Bond Donors ≤ 52
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 N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide?
The IUPAC name of N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide (CID 172683300) is N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide.
What is the SMILES notation for N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide?
The canonical SMILES for N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide is C=CC(=O)Nc1cnc2[nH]ccc2n1.
What is the InChIKey of N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide?
The InChIKey is SREAEHGVCFPXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-2-8(14)13-7-5-11-9-6(12-7)3-4-10-9/h2-5H,1H2,(H,10,11)(H,12,13,14).
What are the key properties of N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide?
N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide has a molecular weight of 188.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide is sourced from PubChem (CID 172683300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).