1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde

C8H8BrNO — CID 66410542

IUPAC1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde
SMILESC=C(Br)Cn1ccc(C=O)c1
InChIInChI=1S/C8H8BrNO/c1-7(9)4-10-3-2-8(5-10)6-11/h2-3,5-6H,1,4H2
InChIKeyXUWRCUMYHVPSRG-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.21
Rot. Bonds3

About 1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde

1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde (PubChem CID 66410542) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde
PubChem CID66410542
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde
SMILESC=C(Br)Cn1ccc(C=O)c1
InChIInChI=1S/C8H8BrNO/c1-7(9)4-10-3-2-8(5-10)6-11/h2-3,5-6H,1,4H2
InChIKeyXUWRCUMYHVPSRG-UHFFFAOYSA-N
XLogP2.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.21
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

1-(2-methylidenebutyl)pyrrole-3-carbaldehyde
CID 66410536
2-(3-formylpyrrol-1-yl)acetic acid
CID 19763688
1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]propan-1-one
CID 79099398
N-butyl-2-(3-formylpyrrol-1-yl)acetamide
CID 66409664
N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide
CID 66407484
1-hydroxypyrrole-3-carbaldehyde
CID 88842582
1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde
CID 66408586
1-(4,4,4-trifluorobutyl)pyrrole-3-carbaldehyde
CID 115515007
1-[(3,4-dimethylphenyl)methyl]pyrrole-3-carbaldehyde
CID 66409232
3-(2-bromoprop-2-enyl)benzaldehyde
CID 13243283
1-[(1-methylpiperidin-4-yl)methyl]pyrrole-3-carbaldehyde
CID 164647901
1-[(5-chlorothiophen-3-yl)methyl]pyrrole-3-carbaldehyde
CID 130748409

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde?
The IUPAC name of 1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde (CID 66410542) is 1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde?
The canonical SMILES for 1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde is C=C(Br)Cn1ccc(C=O)c1.
What is the InChIKey of 1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde?
The InChIKey is XUWRCUMYHVPSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-7(9)4-10-3-2-8(5-10)6-11/h2-3,5-6H,1,4H2.
What are the key properties of 1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde?
1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde has a molecular weight of 214.06 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 66410542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).