(E)-2-(oxiran-2-ylmethoxy)pent-2-enamide

C8H13NO3 — CID 89415069

IUPAC(E)-2-(oxiran-2-ylmethoxy)pent-2-enamide
SMILESCC/C=C(/OCC1CO1)C(N)=O
InChIInChI=1S/C8H13NO3/c1-2-3-7(8(9)10)12-5-6-4-11-6/h3,6H,2,4-5H2,1H3,(H2,9,10)/b7-3+
InChIKeyDRWYVJGYQJSAAC-XVNBXDOJSA-N
MW171.20 g/mol
LogP0.18
Rot. Bonds5

About (E)-2-(oxiran-2-ylmethoxy)pent-2-enamide

(E)-2-(oxiran-2-ylmethoxy)pent-2-enamide (PubChem CID 89415069) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (E)-2-(oxiran-2-ylmethoxy)pent-2-enamide.

Molecular Properties

Compound Name(E)-2-(oxiran-2-ylmethoxy)pent-2-enamide
PubChem CID89415069
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(E)-2-(oxiran-2-ylmethoxy)pent-2-enamide
SMILESCC/C=C(/OCC1CO1)C(N)=O
InChIInChI=1S/C8H13NO3/c1-2-3-7(8(9)10)12-5-6-4-11-6/h3,6H,2,4-5H2,1H3,(H2,9,10)/b7-3+
InChIKeyDRWYVJGYQJSAAC-XVNBXDOJSA-N
XLogP0.18
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

oxiran-2-ylmethyl 2-methylpent-2-enoate
CID 57029570
(Z)-2-ethoxypent-2-enamide
CID 87204332
bis(oxiran-2-ylmethyl) 2-ethylpropanedioate
CID 141095093
oxiran-2-ylmethyl (E)-pent-2-enoate
CID 19807411
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
1-O-ethyl 4-O-(oxiran-2-ylmethyl) (Z)-but-2-enedioate
CID 6433943
2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide
CID 173429156
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
2-methylpropanoic acid;oxiran-2-ylmethyl 2-methylpropanoate
CID 161434181
oxiran-2-ylmethyl 2-butoxybut-2-enoate
CID 174830768
oxiran-2-ylmethyl 5-methylhept-4-enoate
CID 54277576
[(2S)-oxiran-2-yl]methyl 2,2-dimethylpropanoate
CID 11768834

Frequently Asked Questions

What is the IUPAC name of (E)-2-(oxiran-2-ylmethoxy)pent-2-enamide?
The IUPAC name of (E)-2-(oxiran-2-ylmethoxy)pent-2-enamide (CID 89415069) is (E)-2-(oxiran-2-ylmethoxy)pent-2-enamide.
What is the SMILES notation for (E)-2-(oxiran-2-ylmethoxy)pent-2-enamide?
The canonical SMILES for (E)-2-(oxiran-2-ylmethoxy)pent-2-enamide is CC/C=C(/OCC1CO1)C(N)=O.
What is the InChIKey of (E)-2-(oxiran-2-ylmethoxy)pent-2-enamide?
The InChIKey is DRWYVJGYQJSAAC-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-3-7(8(9)10)12-5-6-4-11-6/h3,6H,2,4-5H2,1H3,(H2,9,10)/b7-3+.
What are the key properties of (E)-2-(oxiran-2-ylmethoxy)pent-2-enamide?
(E)-2-(oxiran-2-ylmethoxy)pent-2-enamide has a molecular weight of 171.20 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(oxiran-2-ylmethoxy)pent-2-enamide is sourced from PubChem (CID 89415069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).