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

C8H15NO — CID 174833487

IUPACoxirane;N-prop-2-enylprop-2-en-1-amine
SMILESC1CO1.C=CCNCC=C
InChIInChI=1S/C6H11N.C2H4O/c1-3-5-7-6-4-2;1-2-3-1/h3-4,7H,1-2,5-6H2;1-2H2
InChIKeyXFUVUEVDEMDUPA-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.96
Rot. Bonds4

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

oxirane;N-prop-2-enylprop-2-en-1-amine (PubChem CID 174833487) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is oxirane;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Nameoxirane;N-prop-2-enylprop-2-en-1-amine
PubChem CID174833487
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameoxirane;N-prop-2-enylprop-2-en-1-amine
SMILESC1CO1.C=CCNCC=C
InChIInChI=1S/C6H11N.C2H4O/c1-3-5-7-6-4-2;1-2-3-1/h3-4,7H,1-2,5-6H2;1-2H2
InChIKeyXFUVUEVDEMDUPA-UHFFFAOYSA-N
XLogP0.96
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxirane;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of oxirane;N-prop-2-enylprop-2-en-1-amine (CID 174833487) is oxirane;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for oxirane;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for oxirane;N-prop-2-enylprop-2-en-1-amine is C1CO1.C=CCNCC=C.
What is the InChIKey of oxirane;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is XFUVUEVDEMDUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2H4O/c1-3-5-7-6-4-2;1-2-3-1/h3-4,7H,1-2,5-6H2;1-2H2.
What are the key properties of oxirane;N-prop-2-enylprop-2-en-1-amine?
oxirane;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 141.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 174833487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).