2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde

C11H12ClNO — CID 174675002

IUPAC2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde
SMILESC=C(c1cccc(C=O)c1Cl)N(C)C
InChIInChI=1S/C11H12ClNO/c1-8(13(2)3)10-6-4-5-9(7-14)11(10)12/h4-7H,1H2,2-3H3
InChIKeyWDJOSRDHJKMZCW-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.68
Rot. Bonds3

About 2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde

2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde (PubChem CID 174675002) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde.

Molecular Properties

Compound Name2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde
PubChem CID174675002
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde
SMILESC=C(c1cccc(C=O)c1Cl)N(C)C
InChIInChI=1S/C11H12ClNO/c1-8(13(2)3)10-6-4-5-9(7-14)11(10)12/h4-7H,1H2,2-3H3
InChIKeyWDJOSRDHJKMZCW-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.68
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 2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde?
The IUPAC name of 2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde (CID 174675002) is 2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde.
What is the SMILES notation for 2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde?
The canonical SMILES for 2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde is C=C(c1cccc(C=O)c1Cl)N(C)C.
What is the InChIKey of 2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde?
The InChIKey is WDJOSRDHJKMZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-8(13(2)3)10-6-4-5-9(7-14)11(10)12/h4-7H,1H2,2-3H3.
What are the key properties of 2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde?
2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde has a molecular weight of 209.68 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-(dimethylamino)ethenyl]benzaldehyde is sourced from PubChem (CID 174675002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).