N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide

C11H20N2O2 — CID 103557389

IUPACN-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC/C=C/CN)CCC1
InChIInChI=1S/C11H20N2O2/c1-15-11(5-4-6-11)9-10(14)13-8-3-2-7-12/h2-3H,4-9,12H2,1H3,(H,13,14)/b3-2+
InChIKeyUUUOCPIVCQAZFK-NSCUHMNNSA-N
MW212.29 g/mol
LogP0.58
Rot. Bonds6

About N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide

N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103557389) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID103557389
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC/C=C/CN)CCC1
InChIInChI=1S/C11H20N2O2/c1-15-11(5-4-6-11)9-10(14)13-8-3-2-7-12/h2-3H,4-9,12H2,1H3,(H,13,14)/b3-2+
InChIKeyUUUOCPIVCQAZFK-NSCUHMNNSA-N
XLogP0.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide (CID 103557389) is N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NC/C=C/CN)CCC1.
What is the InChIKey of N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is UUUOCPIVCQAZFK-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-11(5-4-6-11)9-10(14)13-8-3-2-7-12/h2-3H,4-9,12H2,1H3,(H,13,14)/b3-2+.
What are the key properties of N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide?
N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 212.29 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-aminobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103557389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).