3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde

C11H12ClNO — CID 169473484

IUPAC3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde
SMILESCNCC=Cc1c(Cl)cccc1C=O
InChIInChI=1S/C11H12ClNO/c1-13-7-3-5-10-9(8-14)4-2-6-11(10)12/h2-6,8,13H,7H2,1H3
InChIKeyVGCHIOFUQIXGIV-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.39
Rot. Bonds4

About 3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde

3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde (PubChem CID 169473484) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde
PubChem CID169473484
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde
SMILESCNCC=Cc1c(Cl)cccc1C=O
InChIInChI=1S/C11H12ClNO/c1-13-7-3-5-10-9(8-14)4-2-6-11(10)12/h2-6,8,13H,7H2,1H3
InChIKeyVGCHIOFUQIXGIV-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.39
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-chloro-2-(4-chlorobut-1-enyl)benzaldehyde
CID 170499027
4-(2-chloro-6-formylphenyl)but-3-enoic acid
CID 170483449
3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine
CID 169473159
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
2-(4-azidobut-1-enyl)-3-chlorobenzaldehyde
CID 170485154
3-(2-chloro-6-formylphenyl)prop-2-enenitrile
CID 169483362
N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347868
4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde
CID 169474327
3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340039
2,6-dichlorobenzaldehyde;ethane
CID 90823593
6-[3-(methylamino)prop-1-enyl]pyridine-2-carbaldehyde
CID 169473370
2,3-dichlorobenzaldehyde;methanol
CID 162040206

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde?
The IUPAC name of 3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde (CID 169473484) is 3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde.
What is the SMILES notation for 3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde?
The canonical SMILES for 3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde is CNCC=Cc1c(Cl)cccc1C=O.
What is the InChIKey of 3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde?
The InChIKey is VGCHIOFUQIXGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-13-7-3-5-10-9(8-14)4-2-6-11(10)12/h2-6,8,13H,7H2,1H3.
What are the key properties of 3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde?
3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde has a molecular weight of 209.68 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde is sourced from PubChem (CID 169473484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).