(E)-3-(dibutylamino)prop-2-enal

C11H21NO — CID 13037275

IUPAC(E)-3-(dibutylamino)prop-2-enal
SMILESCCCCN(/C=C/C=O)CCCC
InChIInChI=1S/C11H21NO/c1-3-5-8-12(9-6-4-2)10-7-11-13/h7,10-11H,3-6,8-9H2,1-2H3/b10-7+
InChIKeyIDHUWHYABNVTKT-JXMROGBWSA-N
MW183.30 g/mol
LogP2.60
Rot. Bonds8

About (E)-3-(dibutylamino)prop-2-enal

(E)-3-(dibutylamino)prop-2-enal (PubChem CID 13037275) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (E)-3-(dibutylamino)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(dibutylamino)prop-2-enal
PubChem CID13037275
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(E)-3-(dibutylamino)prop-2-enal
SMILESCCCCN(/C=C/C=O)CCCC
InChIInChI=1S/C11H21NO/c1-3-5-8-12(9-6-4-2)10-7-11-13/h7,10-11H,3-6,8-9H2,1-2H3/b10-7+
InChIKeyIDHUWHYABNVTKT-JXMROGBWSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (E)-3-(dibutylamino)prop-2-enal?
The IUPAC name of (E)-3-(dibutylamino)prop-2-enal (CID 13037275) is (E)-3-(dibutylamino)prop-2-enal.
What is the SMILES notation for (E)-3-(dibutylamino)prop-2-enal?
The canonical SMILES for (E)-3-(dibutylamino)prop-2-enal is CCCCN(/C=C/C=O)CCCC.
What is the InChIKey of (E)-3-(dibutylamino)prop-2-enal?
The InChIKey is IDHUWHYABNVTKT-JXMROGBWSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-8-12(9-6-4-2)10-7-11-13/h7,10-11H,3-6,8-9H2,1-2H3/b10-7+.
What are the key properties of (E)-3-(dibutylamino)prop-2-enal?
(E)-3-(dibutylamino)prop-2-enal has a molecular weight of 183.30 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dibutylamino)prop-2-enal is sourced from PubChem (CID 13037275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).