ethenoxyethene;N-prop-2-enylprop-2-en-1-amine

C10H17NO — CID 88744951

IUPACethenoxyethene;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.C=COC=C
InChIInChI=1S/C6H11N.C4H6O/c1-3-5-7-6-4-2;1-3-5-4-2/h3-4,7H,1-2,5-6H2;3-4H,1-2H2
InChIKeyVFJKLVOXWDCDAF-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.24
Rot. Bonds6

About ethenoxyethene;N-prop-2-enylprop-2-en-1-amine

ethenoxyethene;N-prop-2-enylprop-2-en-1-amine (PubChem CID 88744951) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is ethenoxyethene;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Nameethenoxyethene;N-prop-2-enylprop-2-en-1-amine
PubChem CID88744951
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nameethenoxyethene;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.C=COC=C
InChIInChI=1S/C6H11N.C4H6O/c1-3-5-7-6-4-2;1-3-5-4-2/h3-4,7H,1-2,5-6H2;3-4H,1-2H2
InChIKeyVFJKLVOXWDCDAF-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of ethenoxyethene;N-prop-2-enylprop-2-en-1-amine (CID 88744951) is ethenoxyethene;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for ethenoxyethene;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for ethenoxyethene;N-prop-2-enylprop-2-en-1-amine is C=CCNCC=C.C=COC=C.
What is the InChIKey of ethenoxyethene;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is VFJKLVOXWDCDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C4H6O/c1-3-5-7-6-4-2;1-3-5-4-2/h3-4,7H,1-2,5-6H2;3-4H,1-2H2.
What are the key properties of ethenoxyethene;N-prop-2-enylprop-2-en-1-amine?
ethenoxyethene;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 88744951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).