2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde

C9H12N2O — CID 88934311

IUPAC2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde
SMILESCN1CCn2c(C=O)ccc2C1
InChIInChI=1S/C9H12N2O/c1-10-4-5-11-8(6-10)2-3-9(11)7-12/h2-3,7H,4-6H2,1H3
InChIKeyPZYQDEVINSBRTE-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.75
Rot. Bonds1

About 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde

2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde (PubChem CID 88934311) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde
PubChem CID88934311
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde
SMILESCN1CCn2c(C=O)ccc2C1
InChIInChI=1S/C9H12N2O/c1-10-4-5-11-8(6-10)2-3-9(11)7-12/h2-3,7H,4-6H2,1H3
InChIKeyPZYQDEVINSBRTE-UHFFFAOYSA-N
XLogP0.75
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1H-pyrrole-2-carbaldehyde
CID 14504
1-Ethyl-2-pyrrolecarboxaldehyde
CID 579338
2,3-Dihydro-1H-pyrrolizine-5-carbaldehyde
CID 6428138
1-Pyridin-3-yl-1H-pyrrole-2-carbaldehyde
CID 3153995
1-phenyl-1H-pyrrole-2-carbaldehyde
CID 934729
5,6,7,8-Tetrahydroindolizin-8-one
CID 11182632
(S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizine-3-carbaldehyde
CID 10014924
1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone
CID 11290046
1-(1-Methyl-1H-pyrrol-2-yl)-2-piperidin-1-yl-ethanone
CID 11333223
1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone
CID 11369049
N-Isopropyl-1,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40076165
2-Formyl-1-methylpyridinium iodide
CID 12212103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde?
The IUPAC name of 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde (CID 88934311) is 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde.
What is the SMILES notation for 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde?
The canonical SMILES for 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde is CN1CCn2c(C=O)ccc2C1.
What is the InChIKey of 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde?
The InChIKey is PZYQDEVINSBRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-10-4-5-11-8(6-10)2-3-9(11)7-12/h2-3,7H,4-6H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde?
2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde has a molecular weight of 164.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carbaldehyde is sourced from PubChem (CID 88934311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).