(2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide

C12H14N2O4 — CID 156867033

IUPAC(2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide
SMILESC=C/C=C(\C=CC)C(=O)N[C@H]1COC(=O)NC1=O
InChIInChI=1S/C12H14N2O4/c1-3-5-8(6-4-2)10(15)13-9-7-18-12(17)14-11(9)16/h3-6,9H,1,7H2,2H3,(H,13,15)(H,14,16,17)/b6-4?,8-5+/t9-/m0/s1
InChIKeyIGDVEDQLMZGBAS-NFOMOJAJSA-N
MW250.25 g/mol
LogP0.43
Rot. Bonds4

About (2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide

(2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide (PubChem CID 156867033) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is (2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide
PubChem CID156867033
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name(2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide
SMILESC=C/C=C(\C=CC)C(=O)N[C@H]1COC(=O)NC1=O
InChIInChI=1S/C12H14N2O4/c1-3-5-8(6-4-2)10(15)13-9-7-18-12(17)14-11(9)16/h3-6,9H,1,7H2,2H3,(H,13,15)(H,14,16,17)/b6-4?,8-5+/t9-/m0/s1
InChIKeyIGDVEDQLMZGBAS-NFOMOJAJSA-N
XLogP0.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide?
The IUPAC name of (2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide (CID 156867033) is (2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide?
The canonical SMILES for (2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide is C=C/C=C(\C=CC)C(=O)N[C@H]1COC(=O)NC1=O.
What is the InChIKey of (2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide?
The InChIKey is IGDVEDQLMZGBAS-NFOMOJAJSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-3-5-8(6-4-2)10(15)13-9-7-18-12(17)14-11(9)16/h3-6,9H,1,7H2,2H3,(H,13,15)(H,14,16,17)/b6-4?,8-5+/t9-/m0/s1.
What are the key properties of (2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide?
(2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide has a molecular weight of 250.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide is sourced from PubChem (CID 156867033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).