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

C7H15NO — CID 142458856

IUPACethane;(Z)-2-ethenoxyprop-1-en-1-amine
SMILESC=CO/C(C)=C\N.CC
InChIInChI=1S/C5H9NO.C2H6/c1-3-7-5(2)4-6;1-2/h3-4H,1,6H2,2H3;1-2H3/b5-4-;
InChIKeyGDWABJVJONKFAR-MKWAYWHRSA-N
MW129.20 g/mol
LogP1.99
Rot. Bonds2

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

ethane;(Z)-2-ethenoxyprop-1-en-1-amine (PubChem CID 142458856) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is ethane;(Z)-2-ethenoxyprop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-2-ethenoxyprop-1-en-1-amine
PubChem CID142458856
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nameethane;(Z)-2-ethenoxyprop-1-en-1-amine
SMILESC=CO/C(C)=C\N.CC
InChIInChI=1S/C5H9NO.C2H6/c1-3-7-5(2)4-6;1-2/h3-4H,1,6H2,2H3;1-2H3/b5-4-;
InChIKeyGDWABJVJONKFAR-MKWAYWHRSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.99
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 ethane;(Z)-2-ethenoxyprop-1-en-1-amine?
The IUPAC name of ethane;(Z)-2-ethenoxyprop-1-en-1-amine (CID 142458856) is ethane;(Z)-2-ethenoxyprop-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-2-ethenoxyprop-1-en-1-amine?
The canonical SMILES for ethane;(Z)-2-ethenoxyprop-1-en-1-amine is C=CO/C(C)=C\N.CC.
What is the InChIKey of ethane;(Z)-2-ethenoxyprop-1-en-1-amine?
The InChIKey is GDWABJVJONKFAR-MKWAYWHRSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c1-3-7-5(2)4-6;1-2/h3-4H,1,6H2,2H3;1-2H3/b5-4-;.
What are the key properties of ethane;(Z)-2-ethenoxyprop-1-en-1-amine?
ethane;(Z)-2-ethenoxyprop-1-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-ethenoxyprop-1-en-1-amine is sourced from PubChem (CID 142458856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).