N-hydroxycyclopentanecarboximidoyl chloride

C6H10ClNO — CID 106892072

IUPACN-hydroxycyclopentanecarboximidoyl chloride
SMILESON=C(Cl)C1CCCC1
InChIInChI=1S/C6H10ClNO/c7-6(8-9)5-3-1-2-4-5/h5,9H,1-4H2
InChIKeyXMTKWCFHHCULDZ-UHFFFAOYSA-N
MW147.60 g/mol
LogP2.20
Rot. Bonds1

About N-hydroxycyclopentanecarboximidoyl chloride

N-hydroxycyclopentanecarboximidoyl chloride (PubChem CID 106892072) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is N-hydroxycyclopentanecarboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxycyclopentanecarboximidoyl chloride
PubChem CID106892072
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC NameN-hydroxycyclopentanecarboximidoyl chloride
SMILESON=C(Cl)C1CCCC1
InChIInChI=1S/C6H10ClNO/c7-6(8-9)5-3-1-2-4-5/h5,9H,1-4H2
InChIKeyXMTKWCFHHCULDZ-UHFFFAOYSA-N
XLogP2.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxycyclopentanecarboximidoyl chloride?
The IUPAC name of N-hydroxycyclopentanecarboximidoyl chloride (CID 106892072) is N-hydroxycyclopentanecarboximidoyl chloride.
What is the SMILES notation for N-hydroxycyclopentanecarboximidoyl chloride?
The canonical SMILES for N-hydroxycyclopentanecarboximidoyl chloride is ON=C(Cl)C1CCCC1.
What is the InChIKey of N-hydroxycyclopentanecarboximidoyl chloride?
The InChIKey is XMTKWCFHHCULDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c7-6(8-9)5-3-1-2-4-5/h5,9H,1-4H2.
What are the key properties of N-hydroxycyclopentanecarboximidoyl chloride?
N-hydroxycyclopentanecarboximidoyl chloride has a molecular weight of 147.60 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxycyclopentanecarboximidoyl chloride is sourced from PubChem (CID 106892072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).