azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene

C7H8ClN — CID 66993056

IUPACazane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene
SMILESClc1ccc2c(c1)C2.N
InChIInChI=1S/C7H5Cl.H3N/c8-7-2-1-5-3-6(5)4-7;/h1-2,4H,3H2;1H3
InChIKeyOWLVCOILSYAVQM-UHFFFAOYSA-N
MW141.60 g/mol
LogP2.41
Rot. Bonds

About azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene

azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene (PubChem CID 66993056) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene.

Molecular Properties

Compound Nameazane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene
PubChem CID66993056
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC Nameazane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene
SMILESClc1ccc2c(c1)C2.N
InChIInChI=1S/C7H5Cl.H3N/c8-7-2-1-5-3-6(5)4-7;/h1-2,4H,3H2;1H3
InChIKeyOWLVCOILSYAVQM-UHFFFAOYSA-N
XLogP2.41
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene?
The IUPAC name of azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene (CID 66993056) is azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene.
What is the SMILES notation for azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene?
The canonical SMILES for azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene is Clc1ccc2c(c1)C2.N.
What is the InChIKey of azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene?
The InChIKey is OWLVCOILSYAVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl.H3N/c8-7-2-1-5-3-6(5)4-7;/h1-2,4H,3H2;1H3.
What are the key properties of azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene?
azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene has a molecular weight of 141.60 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene is sourced from PubChem (CID 66993056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).