4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde

C12H10BrNO — CID 174771420

IUPAC4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde
SMILESC=C1N=C(C=O)CC1c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO/c1-8-12(6-11(7-15)14-8)9-2-4-10(13)5-3-9/h2-5,7,12H,1,6H2
InChIKeyCSZCPCHBSTVAHW-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.09
Rot. Bonds2

About 4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde

4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde (PubChem CID 174771420) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde
PubChem CID174771420
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde
SMILESC=C1N=C(C=O)CC1c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO/c1-8-12(6-11(7-15)14-8)9-2-4-10(13)5-3-9/h2-5,7,12H,1,6H2
InChIKeyCSZCPCHBSTVAHW-UHFFFAOYSA-N
XLogP3.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde?
The IUPAC name of 4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde (CID 174771420) is 4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde.
What is the SMILES notation for 4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde?
The canonical SMILES for 4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde is C=C1N=C(C=O)CC1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde?
The InChIKey is CSZCPCHBSTVAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c1-8-12(6-11(7-15)14-8)9-2-4-10(13)5-3-9/h2-5,7,12H,1,6H2.
What are the key properties of 4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde?
4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde has a molecular weight of 264.12 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-methylidene-3,4-dihydropyrrole-2-carbaldehyde is sourced from PubChem (CID 174771420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).