N-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride

C8H12ClNO — CID 86704407

IUPACN-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride
SMILESON=C(Cl)C1CCC2CC2C1
InChIInChI=1S/C8H12ClNO/c9-8(10-11)6-2-1-5-3-7(5)4-6/h5-7,11H,1-4H2
InChIKeyURESRTNLHMSSFV-UHFFFAOYSA-N
MW173.64 g/mol
LogP2.45
Rot. Bonds1

About N-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride

N-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride (PubChem CID 86704407) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is N-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride
PubChem CID86704407
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC NameN-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride
SMILESON=C(Cl)C1CCC2CC2C1
InChIInChI=1S/C8H12ClNO/c9-8(10-11)6-2-1-5-3-7(5)4-6/h5-7,11H,1-4H2
InChIKeyURESRTNLHMSSFV-UHFFFAOYSA-N
XLogP2.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 52.45
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-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride?
The IUPAC name of N-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride (CID 86704407) is N-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride.
What is the SMILES notation for N-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride?
The canonical SMILES for N-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride is ON=C(Cl)C1CCC2CC2C1.
What is the InChIKey of N-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride?
The InChIKey is URESRTNLHMSSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO/c9-8(10-11)6-2-1-5-3-7(5)4-6/h5-7,11H,1-4H2.
What are the key properties of N-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride?
N-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride has a molecular weight of 173.64 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride is sourced from PubChem (CID 86704407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).