(E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide

C9H16N2O2 — CID 90151578

IUPAC(E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide
SMILESC/C(=C\C(C)NC1COC1)C(N)=O
InChIInChI=1S/C9H16N2O2/c1-6(9(10)12)3-7(2)11-8-4-13-5-8/h3,7-8,11H,4-5H2,1-2H3,(H2,10,12)/b6-3+
InChIKeyJVTAQCXRQVGOJT-ZZXKWVIFSA-N
MW184.24 g/mol
LogP-0.21
Rot. Bonds4

About (E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide

(E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide (PubChem CID 90151578) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide
PubChem CID90151578
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide
SMILESC/C(=C\C(C)NC1COC1)C(N)=O
InChIInChI=1S/C9H16N2O2/c1-6(9(10)12)3-7(2)11-8-4-13-5-8/h3,7-8,11H,4-5H2,1-2H3,(H2,10,12)/b6-3+
InChIKeyJVTAQCXRQVGOJT-ZZXKWVIFSA-N
XLogP-0.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide 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 (E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide?
The IUPAC name of (E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide (CID 90151578) is (E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide.
What is the SMILES notation for (E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide?
The canonical SMILES for (E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide is C/C(=C\C(C)NC1COC1)C(N)=O.
What is the InChIKey of (E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide?
The InChIKey is JVTAQCXRQVGOJT-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(9(10)12)3-7(2)11-8-4-13-5-8/h3,7-8,11H,4-5H2,1-2H3,(H2,10,12)/b6-3+.
What are the key properties of (E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide?
(E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide has a molecular weight of 184.24 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-(oxetan-3-ylamino)pent-2-enamide is sourced from PubChem (CID 90151578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).