[1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone

C12H15ClN2O — CID 89244312

IUPAC[1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)C1(NCl)CCCCC1
InChIInChI=1S/C12H15ClN2O/c13-15-12(7-3-1-4-8-12)11(16)10-6-2-5-9-14-10/h2,5-6,9,15H,1,3-4,7-8H2
InChIKeyCKPNJMXKXYGQST-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.71
Rot. Bonds3

About [1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone

[1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone (PubChem CID 89244312) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is [1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone
PubChem CID89244312
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name[1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)C1(NCl)CCCCC1
InChIInChI=1S/C12H15ClN2O/c13-15-12(7-3-1-4-8-12)11(16)10-6-2-5-9-14-10/h2,5-6,9,15H,1,3-4,7-8H2
InChIKeyCKPNJMXKXYGQST-UHFFFAOYSA-N
XLogP2.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone?
The IUPAC name of [1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone (CID 89244312) is [1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone?
The canonical SMILES for [1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone is O=C(c1ccccn1)C1(NCl)CCCCC1.
What is the InChIKey of [1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone?
The InChIKey is CKPNJMXKXYGQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-15-12(7-3-1-4-8-12)11(16)10-6-2-5-9-14-10/h2,5-6,9,15H,1,3-4,7-8H2.
What are the key properties of [1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone?
[1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone has a molecular weight of 238.72 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(chloroamino)cyclohexyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 89244312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).