2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol

C10H18ClNO — CID 102869443

IUPAC2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol
SMILESOCCN(C/C=C/CCl)C1CCC1
InChIInChI=1S/C10H18ClNO/c11-6-1-2-7-12(8-9-13)10-4-3-5-10/h1-2,10,13H,3-9H2/b2-1+
InChIKeyAUMYWSBOGRDTCW-OWOJBTEDSA-N
MW203.71 g/mol
LogP1.63
Rot. Bonds6

About 2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol

2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol (PubChem CID 102869443) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol
PubChem CID102869443
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol
SMILESOCCN(C/C=C/CCl)C1CCC1
InChIInChI=1S/C10H18ClNO/c11-6-1-2-7-12(8-9-13)10-4-3-5-10/h1-2,10,13H,3-9H2/b2-1+
InChIKeyAUMYWSBOGRDTCW-OWOJBTEDSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.63
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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Related Compounds

2-[3-Chloroprop-2-enyl(propyl)amino]ethanol
CID 76890282
2-[3-Chloroprop-2-enyl(cyclopropyl)amino]ethanol
CID 76890342
2-[3-Chloroprop-2-enyl(cyclopentyl)amino]ethanol
CID 76932257
2-[Butyl(3-chloroprop-2-enyl)amino]ethanol
CID 76932280
2-[3-Chloroprop-2-enyl(pentan-3-yl)amino]ethanol
CID 76932283
2-[3-Chloroprop-2-enyl(propan-2-yl)amino]ethanol
CID 76932416
2-[Butyl(4-chlorobut-2-enyl)amino]ethanol
CID 77051134
2-[4-Chlorobut-2-enyl(ethyl)amino]ethanol
CID 77051287
2-[4-Chlorobut-2-enyl(2-hydroxyethyl)amino]ethanol
CID 77051401
2-[4-Chlorobut-2-enyl(propan-2-yl)amino]ethanol
CID 77051408
2-[4-Chlorobut-2-enyl(cyclopropyl)amino]ethanol
CID 77051409
2-[4-Chlorobut-2-enyl(pentan-3-yl)amino]ethanol
CID 77051466

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol?
The IUPAC name of 2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol (CID 102869443) is 2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol is OCCN(C/C=C/CCl)C1CCC1.
What is the InChIKey of 2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol?
The InChIKey is AUMYWSBOGRDTCW-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H18ClNO/c11-6-1-2-7-12(8-9-13)10-4-3-5-10/h1-2,10,13H,3-9H2/b2-1+.
What are the key properties of 2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol?
2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol has a molecular weight of 203.71 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-4-chlorobut-2-enyl]-cyclobutylamino]ethanol is sourced from PubChem (CID 102869443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).