(Z)-1-ethenoxyprop-1-en-2-amine

C5H9NO — CID 142514352

IUPAC(Z)-1-ethenoxyprop-1-en-2-amine
SMILESC=CO/C=C(/C)N
InChIInChI=1S/C5H9NO/c1-3-7-4-5(2)6/h3-4H,1,6H2,2H3/b5-4-
InChIKeyMKJLJAIDWBDOHI-PLNGDYQASA-N
MW99.13 g/mol
LogP0.97
Rot. Bonds2

About (Z)-1-ethenoxyprop-1-en-2-amine

(Z)-1-ethenoxyprop-1-en-2-amine (PubChem CID 142514352) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (Z)-1-ethenoxyprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-ethenoxyprop-1-en-2-amine
PubChem CID142514352
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(Z)-1-ethenoxyprop-1-en-2-amine
SMILESC=CO/C=C(/C)N
InChIInChI=1S/C5H9NO/c1-3-7-4-5(2)6/h3-4H,1,6H2,2H3/b5-4-
InChIKeyMKJLJAIDWBDOHI-PLNGDYQASA-N
XLogP0.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.97
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)-1-ethenoxyprop-1-en-2-amine?
The IUPAC name of (Z)-1-ethenoxyprop-1-en-2-amine (CID 142514352) is (Z)-1-ethenoxyprop-1-en-2-amine.
What is the SMILES notation for (Z)-1-ethenoxyprop-1-en-2-amine?
The canonical SMILES for (Z)-1-ethenoxyprop-1-en-2-amine is C=CO/C=C(/C)N.
What is the InChIKey of (Z)-1-ethenoxyprop-1-en-2-amine?
The InChIKey is MKJLJAIDWBDOHI-PLNGDYQASA-N. The full InChI is InChI=1S/C5H9NO/c1-3-7-4-5(2)6/h3-4H,1,6H2,2H3/b5-4-.
What are the key properties of (Z)-1-ethenoxyprop-1-en-2-amine?
(Z)-1-ethenoxyprop-1-en-2-amine has a molecular weight of 99.13 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethenoxyprop-1-en-2-amine is sourced from PubChem (CID 142514352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).