1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde

C10H13NO — CID 100588441

IUPAC1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde
SMILESCCc1ccc(C=O)n1C1CC1
InChIInChI=1S/C10H13NO/c1-2-8-3-6-10(7-12)11(8)9-4-5-9/h3,6-7,9H,2,4-5H2,1H3
InChIKeyITMONPBUTULEPD-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.20
Rot. Bonds3

About 1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde

1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde (PubChem CID 100588441) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde
PubChem CID100588441
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde
SMILESCCc1ccc(C=O)n1C1CC1
InChIInChI=1S/C10H13NO/c1-2-8-3-6-10(7-12)11(8)9-4-5-9/h3,6-7,9H,2,4-5H2,1H3
InChIKeyITMONPBUTULEPD-UHFFFAOYSA-N
XLogP2.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde
CID 100589133
1-cyclopropyl-5-formylpyrrole-2-carbonitrile
CID 130366801
1-[(2S)-butan-2-yl]-5-(cyclohexylmethyl)pyrrole-2-carbaldehyde
CID 100792790
1-cyclopropylindole-2-carbaldehyde
CID 115016882
1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid
CID 83531011
5-ethyl-1-[(2-phenylphenyl)methyl]pyrrole-2-carbaldehyde
CID 59170383
1-cyclopropyl-2-ethylindole-5-carboxamide
CID 145369091
1-[(2R)-butan-2-yl]-5-propylpyrrole-2-carbaldehyde
CID 100793040
5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde
CID 169092984
(4S)-4-(2-methylpropyl)-3-oxo-1,4-dihydropyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde
CID 132594744
1-cyclopropylbenzimidazole-2-carbaldehyde;hydrate;hydrochloride
CID 86624645
1-butan-2-yl-5-[(4-methylphenyl)methyl]pyrrole-2-carbaldehyde
CID 133155149

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde?
The IUPAC name of 1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde (CID 100588441) is 1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde.
What is the SMILES notation for 1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde?
The canonical SMILES for 1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde is CCc1ccc(C=O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde?
The InChIKey is ITMONPBUTULEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-8-3-6-10(7-12)11(8)9-4-5-9/h3,6-7,9H,2,4-5H2,1H3.
What are the key properties of 1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde?
1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde has a molecular weight of 163.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde is sourced from PubChem (CID 100588441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).