1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane

C9H11Cl — CID 14141830

IUPAC1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane
SMILESCl/C=C/C12C3CCCC1C32
InChIInChI=1S/C9H11Cl/c10-5-4-9-6-2-1-3-7(9)8(6)9/h4-8H,1-3H2/b5-4+
InChIKeyHOTOXHRYQJWXKY-SNAWJCMRSA-N
MW154.64 g/mol
LogP2.79
Rot. Bonds1

About 1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane

1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane (PubChem CID 14141830) has the molecular formula C9H11Cl and a molecular weight of 154.64 g/mol. Its IUPAC name is 1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane.

Molecular Properties

Compound Name1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane
PubChem CID14141830
Molecular FormulaC9H11Cl
Molecular Weight154.64 g/mol
Exact Mass154.05
IUPAC Name1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane
SMILESCl/C=C/C12C3CCCC1C32
InChIInChI=1S/C9H11Cl/c10-5-4-9-6-2-1-3-7(9)8(6)9/h4-8H,1-3H2/b5-4+
InChIKeyHOTOXHRYQJWXKY-SNAWJCMRSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane?
The IUPAC name of 1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane (CID 14141830) is 1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane.
What is the SMILES notation for 1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane?
The canonical SMILES for 1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane is Cl/C=C/C12C3CCCC1C32.
What is the InChIKey of 1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane?
The InChIKey is HOTOXHRYQJWXKY-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H11Cl/c10-5-4-9-6-2-1-3-7(9)8(6)9/h4-8H,1-3H2/b5-4+.
What are the key properties of 1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane?
1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane has a molecular weight of 154.64 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloroethenyl]tricyclo[4.1.0.02,7]heptane is sourced from PubChem (CID 14141830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).