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

C11H18ClNO2 — CID 103557079

IUPACN-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC/C=C/CCl)CCC1
InChIInChI=1S/C11H18ClNO2/c1-15-11(5-4-6-11)9-10(14)13-8-3-2-7-12/h2-3H,4-9H2,1H3,(H,13,14)/b3-2+
InChIKeyFFLDHIKQSAEFNV-NSCUHMNNSA-N
MW231.72 g/mol
LogP1.86
Rot. Bonds6

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

N-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103557079) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is N-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID103557079
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC NameN-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC/C=C/CCl)CCC1
InChIInChI=1S/C11H18ClNO2/c1-15-11(5-4-6-11)9-10(14)13-8-3-2-7-12/h2-3H,4-9H2,1H3,(H,13,14)/b3-2+
InChIKeyFFLDHIKQSAEFNV-NSCUHMNNSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide (CID 103557079) is N-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NC/C=C/CCl)CCC1.
What is the InChIKey of N-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is FFLDHIKQSAEFNV-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-15-11(5-4-6-11)9-10(14)13-8-3-2-7-12/h2-3H,4-9H2,1H3,(H,13,14)/b3-2+.
What are the key properties of N-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide?
N-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 231.72 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-chlorobut-2-enyl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103557079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).