4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde

C10H12BrNO — CID 100589133

IUPAC4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde
SMILESCCc1c(Br)cc(C=O)n1C1CC1
InChIInChI=1S/C10H12BrNO/c1-2-10-9(11)5-8(6-13)12(10)7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyVDCFRRJIWSWDHN-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.96
Rot. Bonds3

About 4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde

4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde (PubChem CID 100589133) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde
PubChem CID100589133
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde
SMILESCCc1c(Br)cc(C=O)n1C1CC1
InChIInChI=1S/C10H12BrNO/c1-2-10-9(11)5-8(6-13)12(10)7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyVDCFRRJIWSWDHN-UHFFFAOYSA-N
XLogP2.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.96
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-1,5-diethylpyrrole-2-carbaldehyde
CID 100589073
1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde
CID 100588441
1-cyclopropylindole-2-carbaldehyde
CID 115016882
1-cyclopropyl-5-formylpyrrole-2-carbonitrile
CID 130366801
1-cyclopropyl-2-ethyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
CID 142633412
7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one
CID 57043575
7-bromo-1-cyclopropyl-8-(difluoromethoxy)-2-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 68992227
3-cyclopropyl-4,5-diethyl-1,3-thiazol-2-one;ethane
CID 144510954
8-(bromomethyl)-1-cyclopropyl-2-ethyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
CID 66604499
1-cyclopropyl-2-ethyl-6,7-difluoro-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid
CID 66604939
1-cyclopropyl-5-methylpyrazole-3-carbaldehyde
CID 115011794
7-cyclopentyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 58299552

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde?
The IUPAC name of 4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde (CID 100589133) is 4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde.
What is the SMILES notation for 4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde?
The canonical SMILES for 4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde is CCc1c(Br)cc(C=O)n1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde?
The InChIKey is VDCFRRJIWSWDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-2-10-9(11)5-8(6-13)12(10)7-3-4-7/h5-7H,2-4H2,1H3.
What are the key properties of 4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde?
4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde has a molecular weight of 242.12 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde is sourced from PubChem (CID 100589133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).