2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol

C10H18ClNO — CID 81429544

IUPAC2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1NC/C=C/CCl
InChIInChI=1S/C10H18ClNO/c11-7-3-4-8-12-9-5-1-2-6-10(9)13/h3-4,9-10,12-13H,1-2,5-8H2/b4-3+
InChIKeyGPAYWRYMENMJGV-ONEGZZNKSA-N
MW203.71 g/mol
LogP1.67
Rot. Bonds4

About 2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol

2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol (PubChem CID 81429544) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol
PubChem CID81429544
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1NC/C=C/CCl
InChIInChI=1S/C10H18ClNO/c11-7-3-4-8-12-9-5-1-2-6-10(9)13/h3-4,9-10,12-13H,1-2,5-8H2/b4-3+
InChIKeyGPAYWRYMENMJGV-ONEGZZNKSA-N
XLogP1.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.67
H-Bond Donors ≤ 52
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 2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol (CID 81429544) is 2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol is OC1CCCCC1NC/C=C/CCl.
What is the InChIKey of 2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol?
The InChIKey is GPAYWRYMENMJGV-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H18ClNO/c11-7-3-4-8-12-9-5-1-2-6-10(9)13/h3-4,9-10,12-13H,1-2,5-8H2/b4-3+.
What are the key properties of 2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol?
2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol has a molecular weight of 203.71 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-4-chlorobut-2-enyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 81429544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).