3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde

C10H10BrNO — CID 169464639

IUPAC3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde
SMILESNCC=Cc1cc(Br)cc(C=O)c1
InChIInChI=1S/C10H10BrNO/c11-10-5-8(2-1-3-12)4-9(6-10)7-13/h1-2,4-7H,3,12H2
InChIKeyWLEPSYVPOKWXBL-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.23
Rot. Bonds3

About 3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde

3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde (PubChem CID 169464639) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde.

Molecular Properties

Compound Name3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde
PubChem CID169464639
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde
SMILESNCC=Cc1cc(Br)cc(C=O)c1
InChIInChI=1S/C10H10BrNO/c11-10-5-8(2-1-3-12)4-9(6-10)7-13/h1-2,4-7H,3,12H2
InChIKeyWLEPSYVPOKWXBL-UHFFFAOYSA-N
XLogP2.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde
CID 169463470
3-bromo-5-(3-sulfanylprop-1-enyl)benzaldehyde
CID 169456350
3-(aminomethyl)-5-bromobenzaldehyde
CID 174575341
3,5-dibromobenzaldehyde;ethane
CID 145297632
4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde
CID 169463839
3-amino-5-bromobenzaldehyde
CID 53441955
(Z)-3-(4-bromophenyl)prop-2-en-1-amine
CID 124584834
3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde
CID 169475387
(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine
CID 82668283
(E)-3-(3-bromo-4,5-difluorophenyl)prop-2-en-1-amine
CID 117372631
3-bromo-5-methanimidoylbenzaldehyde
CID 139323082
3-(4-aminobut-1-enyl)-5-bromobenzoic acid
CID 170487995

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde?
The IUPAC name of 3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde (CID 169464639) is 3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde.
What is the SMILES notation for 3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde?
The canonical SMILES for 3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde is NCC=Cc1cc(Br)cc(C=O)c1.
What is the InChIKey of 3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde?
The InChIKey is WLEPSYVPOKWXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-10-5-8(2-1-3-12)4-9(6-10)7-13/h1-2,4-7H,3,12H2.
What are the key properties of 3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde?
3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde has a molecular weight of 240.10 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde is sourced from PubChem (CID 169464639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).