2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde

C15H14N2O2 — CID 144557707

IUPAC2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde
SMILESCc1ccn2cc(C=O)n(C3=CCCC=C3)c(=O)c12
InChIInChI=1S/C15H14N2O2/c1-11-7-8-16-9-13(10-18)17(15(19)14(11)16)12-5-3-2-4-6-12/h3,5-10H,2,4H2,1H3
InChIKeyPKFCYUKIUCUCNE-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.41
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde

2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde (PubChem CID 144557707) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde
PubChem CID144557707
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde
SMILESCc1ccn2cc(C=O)n(C3=CCCC=C3)c(=O)c12
InChIInChI=1S/C15H14N2O2/c1-11-7-8-16-9-13(10-18)17(15(19)14(11)16)12-5-3-2-4-6-12/h3,5-10H,2,4H2,1H3
InChIKeyPKFCYUKIUCUCNE-UHFFFAOYSA-N
XLogP2.41
TPSA43.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde (CID 144557707) is 2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde is Cc1ccn2cc(C=O)n(C3=CCCC=C3)c(=O)c12.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde?
The InChIKey is PKFCYUKIUCUCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-7-8-16-9-13(10-18)17(15(19)14(11)16)12-5-3-2-4-6-12/h3,5-10H,2,4H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde?
2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde has a molecular weight of 254.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-8-methyl-1-oxopyrrolo[1,2-a]pyrazine-3-carbaldehyde is sourced from PubChem (CID 144557707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).