2-prop-1-enoxyethanimine

C5H9NO — CID 123340215

IUPAC2-prop-1-enoxyethanimine
SMILES[H]/N=C/COC=CC
InChIInChI=1S/C5H9NO/c1-2-4-7-5-3-6/h2-4,6H,5H2,1H3/b4-2?,6-3+
InChIKeyVSJZHLQIRRLZCG-NZMBGBRNSA-N
MW99.13 g/mol
LogP1.19
Rot. Bonds3

About 2-prop-1-enoxyethanimine

2-prop-1-enoxyethanimine (PubChem CID 123340215) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-prop-1-enoxyethanimine.

Molecular Properties

Compound Name2-prop-1-enoxyethanimine
PubChem CID123340215
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-prop-1-enoxyethanimine
SMILES[H]/N=C/COC=CC
InChIInChI=1S/C5H9NO/c1-2-4-7-5-3-6/h2-4,6H,5H2,1H3/b4-2?,6-3+
InChIKeyVSJZHLQIRRLZCG-NZMBGBRNSA-N
XLogP1.19
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 51.19
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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enoxyethanimine?
The IUPAC name of 2-prop-1-enoxyethanimine (CID 123340215) is 2-prop-1-enoxyethanimine.
What is the SMILES notation for 2-prop-1-enoxyethanimine?
The canonical SMILES for 2-prop-1-enoxyethanimine is [H]/N=C/COC=CC.
What is the InChIKey of 2-prop-1-enoxyethanimine?
The InChIKey is VSJZHLQIRRLZCG-NZMBGBRNSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-4-7-5-3-6/h2-4,6H,5H2,1H3/b4-2?,6-3+.
What are the key properties of 2-prop-1-enoxyethanimine?
2-prop-1-enoxyethanimine has a molecular weight of 99.13 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enoxyethanimine is sourced from PubChem (CID 123340215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).