2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol

C9H16ClNO — CID 102676507

IUPAC2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol
SMILESOCCN(C/C=C/Cl)C1CCC1
InChIInChI=1S/C9H16ClNO/c10-5-2-6-11(7-8-12)9-3-1-4-9/h2,5,9,12H,1,3-4,6-8H2/b5-2+
InChIKeyYNBSEOWMRZSNEH-GORDUTHDSA-N
MW189.69 g/mol
LogP1.59
Rot. Bonds5

About 2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol

2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol (PubChem CID 102676507) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol
PubChem CID102676507
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol
SMILESOCCN(C/C=C/Cl)C1CCC1
InChIInChI=1S/C9H16ClNO/c10-5-2-6-11(7-8-12)9-3-1-4-9/h2,5,9,12H,1,3-4,6-8H2/b5-2+
InChIKeyYNBSEOWMRZSNEH-GORDUTHDSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol?
The IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol (CID 102676507) is 2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol is OCCN(C/C=C/Cl)C1CCC1.
What is the InChIKey of 2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol?
The InChIKey is YNBSEOWMRZSNEH-GORDUTHDSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-5-2-6-11(7-8-12)9-3-1-4-9/h2,5,9,12H,1,3-4,6-8H2/b5-2+.
What are the key properties of 2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol?
2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol has a molecular weight of 189.69 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-chloroprop-2-enyl]-cyclobutylamino]ethanol is sourced from PubChem (CID 102676507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).