(Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal

C7H11NO — CID 89043945

IUPAC(Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal
SMILESC/C=C\N/C(C)=C\C=O
InChIInChI=1S/C7H11NO/c1-3-5-8-7(2)4-6-9/h3-6,8H,1-2H3/b5-3-,7-4-
InChIKeyZDJASOWOKOSDEP-XDYPTIOJSA-N
MW125.17 g/mol
LogP1.21
Rot. Bonds3

About (Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal

(Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal (PubChem CID 89043945) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal.

Molecular Properties

Compound Name(Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal
PubChem CID89043945
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal
SMILESC/C=C\N/C(C)=C\C=O
InChIInChI=1S/C7H11NO/c1-3-5-8-7(2)4-6-9/h3-6,8H,1-2H3/b5-3-,7-4-
InChIKeyZDJASOWOKOSDEP-XDYPTIOJSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
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 (Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal?
The IUPAC name of (Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal (CID 89043945) is (Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal.
What is the SMILES notation for (Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal?
The canonical SMILES for (Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal is C/C=C\N/C(C)=C\C=O.
What is the InChIKey of (Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal?
The InChIKey is ZDJASOWOKOSDEP-XDYPTIOJSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-5-8-7(2)4-6-9/h3-6,8H,1-2H3/b5-3-,7-4-.
What are the key properties of (Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal?
(Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal has a molecular weight of 125.17 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[(Z)-prop-1-enyl]amino]but-2-enal is sourced from PubChem (CID 89043945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).