(Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide

C9H16N2O2 — CID 90151592

IUPAC(Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide
SMILESCC/C=C(/C(N)=O)N(C)C1COC1
InChIInChI=1S/C9H16N2O2/c1-3-4-8(9(10)12)11(2)7-5-13-6-7/h4,7H,3,5-6H2,1-2H3,(H2,10,12)/b8-4-
InChIKeyPASPXVNIUVYGHE-YWEYNIOJSA-N
MW184.24 g/mol
LogP0.10
Rot. Bonds4

About (Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide

(Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide (PubChem CID 90151592) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide.

Molecular Properties

Compound Name(Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide
PubChem CID90151592
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide
SMILESCC/C=C(/C(N)=O)N(C)C1COC1
InChIInChI=1S/C9H16N2O2/c1-3-4-8(9(10)12)11(2)7-5-13-6-7/h4,7H,3,5-6H2,1-2H3,(H2,10,12)/b8-4-
InChIKeyPASPXVNIUVYGHE-YWEYNIOJSA-N
XLogP0.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide?
The IUPAC name of (Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide (CID 90151592) is (Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide.
What is the SMILES notation for (Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide?
The canonical SMILES for (Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide is CC/C=C(/C(N)=O)N(C)C1COC1.
What is the InChIKey of (Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide?
The InChIKey is PASPXVNIUVYGHE-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-4-8(9(10)12)11(2)7-5-13-6-7/h4,7H,3,5-6H2,1-2H3,(H2,10,12)/b8-4-.
What are the key properties of (Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide?
(Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[methyl(oxetan-3-yl)amino]pent-2-enamide is sourced from PubChem (CID 90151592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).