4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde

C10H15NO — CID 44718413

IUPAC4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde
SMILESCCc1[nH]c(C=O)c(C)c1CC
InChIInChI=1S/C10H15NO/c1-4-8-7(3)10(6-12)11-9(8)5-2/h6,11H,4-5H2,1-3H3
InChIKeyKZYGZAOSSXZJJO-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.26
Rot. Bonds3

About 4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde

4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde (PubChem CID 44718413) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde
PubChem CID44718413
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde
SMILESCCc1[nH]c(C=O)c(C)c1CC
InChIInChI=1S/C10H15NO/c1-4-8-7(3)10(6-12)11-9(8)5-2/h6,11H,4-5H2,1-3H3
InChIKeyKZYGZAOSSXZJJO-UHFFFAOYSA-N
XLogP2.26
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-(4-ethyl-5-formyl-3-methyl-1H-pyrrol-2-yl)-4-methyl-1H-pyrrole-2-carbaldehyde
CID 10967646
5-[(5-formyl-3-hexyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-hexyl-3-methyl-1H-pyrrole-2-carbaldehyde
CID 14159660
4-ethyl-3-methyl-5-[(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)methyl]-1H-pyrrole-2-carbaldehyde
CID 11822645
but-2-yne;4-ethyl-3-methyl-5-[3-methyl-2-[(2-methyl-4-oxopent-2-en-3-yl)amino]but-2-enyl]-1H-pyrrole-2-carbaldehyde
CID 143479872
2-ethyl-3,4,5-trimethyl-1H-pyrrole
CID 578993
2-ethyl-3,4,5,6-tetramethylbenzaldehyde
CID 71410306
1-methoxypropane;3-methyl-4-propyl-1H-pyrrole-2,5-dicarbaldehyde;molecular hydrogen
CID 142993513
2-bromo-5-[[5-[[5-[(Z)-(5-bromo-3,4-dimethylpyrrol-1-ium-2-ylidene)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-1-ium
CID 126961528
2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde
CID 102189647
2-ethyl-5-methylbenzene-1,3-dicarbaldehyde
CID 14045532
2-[(3,4-dimethylpyrrol-1-ium-2-ylidene)methyl]-5-[[5-[(3,4-dimethylpyrrol-1-ium-2-ylidene)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole dibromide
CID 75062864
methyl 4-[bis(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]benzoate
CID 11200963

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde (CID 44718413) is 4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde is CCc1[nH]c(C=O)c(C)c1CC.
What is the InChIKey of 4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde?
The InChIKey is KZYGZAOSSXZJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-8-7(3)10(6-12)11-9(8)5-2/h6,11H,4-5H2,1-3H3.
What are the key properties of 4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde?
4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde has a molecular weight of 165.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 44718413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).