3-(dimethylamino)-2-methoxyprop-2-enal

C6H11NO2 — CID 29417541

IUPAC3-(dimethylamino)-2-methoxyprop-2-enal
SMILESCOC(C=O)=CN(C)C
InChIInChI=1S/C6H11NO2/c1-7(2)4-6(5-8)9-3/h4-5H,1-3H3
InChIKeyRQHGOEZWYCFGCY-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.23
Rot. Bonds3

About 3-(dimethylamino)-2-methoxyprop-2-enal

3-(dimethylamino)-2-methoxyprop-2-enal (PubChem CID 29417541) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methoxyprop-2-enal.

Molecular Properties

Compound Name3-(dimethylamino)-2-methoxyprop-2-enal
PubChem CID29417541
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-(dimethylamino)-2-methoxyprop-2-enal
SMILESCOC(C=O)=CN(C)C
InChIInChI=1S/C6H11NO2/c1-7(2)4-6(5-8)9-3/h4-5H,1-3H3
InChIKeyRQHGOEZWYCFGCY-UHFFFAOYSA-N
XLogP0.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methoxyprop-2-enal?
The IUPAC name of 3-(dimethylamino)-2-methoxyprop-2-enal (CID 29417541) is 3-(dimethylamino)-2-methoxyprop-2-enal.
What is the SMILES notation for 3-(dimethylamino)-2-methoxyprop-2-enal?
The canonical SMILES for 3-(dimethylamino)-2-methoxyprop-2-enal is COC(C=O)=CN(C)C.
What is the InChIKey of 3-(dimethylamino)-2-methoxyprop-2-enal?
The InChIKey is RQHGOEZWYCFGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7(2)4-6(5-8)9-3/h4-5H,1-3H3.
What are the key properties of 3-(dimethylamino)-2-methoxyprop-2-enal?
3-(dimethylamino)-2-methoxyprop-2-enal has a molecular weight of 129.16 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methoxyprop-2-enal is sourced from PubChem (CID 29417541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).