2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine

C16H22ClNO — CID 18656298

IUPAC2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine
SMILESCCCOc1ccc(C2CCC(/C=C/Cl)CC2)nc1
InChIInChI=1S/C16H22ClNO/c1-2-11-19-15-7-8-16(18-12-15)14-5-3-13(4-6-14)9-10-17/h7-10,12-14H,2-6,11H2,1H3/b10-9+
InChIKeyWLMNEGFJJLZCBL-MDZDMXLPSA-N
MW279.81 g/mol
LogP4.90
Rot. Bonds5

About 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine

2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine (PubChem CID 18656298) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine.

Molecular Properties

Compound Name2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine
PubChem CID18656298
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine
SMILESCCCOc1ccc(C2CCC(/C=C/Cl)CC2)nc1
InChIInChI=1S/C16H22ClNO/c1-2-11-19-15-7-8-16(18-12-15)14-5-3-13(4-6-14)9-10-17/h7-10,12-14H,2-6,11H2,1H3/b10-9+
InChIKeyWLMNEGFJJLZCBL-MDZDMXLPSA-N
XLogP4.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine?
The IUPAC name of 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine (CID 18656298) is 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine.
What is the SMILES notation for 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine?
The canonical SMILES for 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine is CCCOc1ccc(C2CCC(/C=C/Cl)CC2)nc1.
What is the InChIKey of 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine?
The InChIKey is WLMNEGFJJLZCBL-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-2-11-19-15-7-8-16(18-12-15)14-5-3-13(4-6-14)9-10-17/h7-10,12-14H,2-6,11H2,1H3/b10-9+.
What are the key properties of 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine?
2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine has a molecular weight of 279.81 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-propoxypyridine is sourced from PubChem (CID 18656298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).