N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide

C10H16ClNO — CID 103164392

IUPACN-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NC/C=C/CCl
InChIInChI=1S/C10H16ClNO/c11-6-1-2-7-12-10(13)8-9-4-3-5-9/h1-2,9H,3-8H2,(H,12,13)/b2-1+
InChIKeyUDULOELOYRCLOJ-OWOJBTEDSA-N
MW201.70 g/mol
LogP2.09
Rot. Bonds5

About N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide

N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide (PubChem CID 103164392) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide
PubChem CID103164392
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC NameN-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NC/C=C/CCl
InChIInChI=1S/C10H16ClNO/c11-6-1-2-7-12-10(13)8-9-4-3-5-9/h1-2,9H,3-8H2,(H,12,13)/b2-1+
InChIKeyUDULOELOYRCLOJ-OWOJBTEDSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-4-chlorobut-2-enyl]-2-cyclopropylacetamide
CID 81431115
N-(2-chloroethyl)-2-cyclobutylacetamide
CID 103164388
methyl (E)-4-[(2-cyclohexylacetyl)amino]but-2-enoate
CID 154876830
(E)-4-chloro-N-(cyclohexylmethyl)but-2-en-1-amine
CID 81430081
1-[(E)-4-chlorobut-2-enyl]-3-cyclohexylurea
CID 81428966
N-[(E)-4-chlorobut-2-enyl]-1,1-dioxothiane-2-carboxamide
CID 104520201
N-[2-(2-chloroethoxy)ethyl]-2-cyclobutylacetamide
CID 103166701
2-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 103799929
2-cyclobutyl-N-methylacetamide
CID 57296172
2-chloro-N-(2-cyclobutylethyl)acetamide
CID 115879965
2-cyclobutyl-N-(4-formylphenyl)acetamide
CID 106912258
N-(3-bromopropyl)-2-cyclobutylacetamide
CID 103164386

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide?
The IUPAC name of N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide (CID 103164392) is N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide.
What is the SMILES notation for N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide?
The canonical SMILES for N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide is O=C(CC1CCC1)NC/C=C/CCl.
What is the InChIKey of N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide?
The InChIKey is UDULOELOYRCLOJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H16ClNO/c11-6-1-2-7-12-10(13)8-9-4-3-5-9/h1-2,9H,3-8H2,(H,12,13)/b2-1+.
What are the key properties of N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide?
N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide has a molecular weight of 201.70 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-chlorobut-2-enyl]-2-cyclobutylacetamide is sourced from PubChem (CID 103164392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).