(Z)-4-ethenoxybut-3-en-2-amine

C6H11NO — CID 177037077

IUPAC(Z)-4-ethenoxybut-3-en-2-amine
SMILESC=CO/C=C\C(C)N
InChIInChI=1S/C6H11NO/c1-3-8-5-4-6(2)7/h3-6H,1,7H2,2H3/b5-4-
InChIKeyCYIISLRWWOIZNU-PLNGDYQASA-N
MW113.16 g/mol
LogP1.01
Rot. Bonds3

About (Z)-4-ethenoxybut-3-en-2-amine

(Z)-4-ethenoxybut-3-en-2-amine (PubChem CID 177037077) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z)-4-ethenoxybut-3-en-2-amine.

Molecular Properties

Compound Name(Z)-4-ethenoxybut-3-en-2-amine
PubChem CID177037077
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(Z)-4-ethenoxybut-3-en-2-amine
SMILESC=CO/C=C\C(C)N
InChIInChI=1S/C6H11NO/c1-3-8-5-4-6(2)7/h3-6H,1,7H2,2H3/b5-4-
InChIKeyCYIISLRWWOIZNU-PLNGDYQASA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethenoxybut-3-en-2-amine?
The IUPAC name of (Z)-4-ethenoxybut-3-en-2-amine (CID 177037077) is (Z)-4-ethenoxybut-3-en-2-amine.
What is the SMILES notation for (Z)-4-ethenoxybut-3-en-2-amine?
The canonical SMILES for (Z)-4-ethenoxybut-3-en-2-amine is C=CO/C=C\C(C)N.
What is the InChIKey of (Z)-4-ethenoxybut-3-en-2-amine?
The InChIKey is CYIISLRWWOIZNU-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11NO/c1-3-8-5-4-6(2)7/h3-6H,1,7H2,2H3/b5-4-.
What are the key properties of (Z)-4-ethenoxybut-3-en-2-amine?
(Z)-4-ethenoxybut-3-en-2-amine has a molecular weight of 113.16 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethenoxybut-3-en-2-amine is sourced from PubChem (CID 177037077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).