cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene

C34H48FNO — CID 142350994

About cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene

cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene (PubChem CID 142350994) has the molecular formula C34H48FNO and a molecular weight of 505.76 g/mol. Its IUPAC name is cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene.

Molecular Properties

• Compound Name: cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene
• PubChem CID: 142350994
• Molecular Formula: C34H48FNO
• Molecular Weight: 505.76 g/mol
• Exact Mass: 505.37
• IUPAC Name: cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene
• SMILES: C#CC.C1CC1.CC.CC1=CCCC(C)=C1C.CCc1cc(/C=C(\F)c2ccc(C)nc2)cc(OC)c1
• InChI: InChI=1S/C17H18FNO.C9H14.C3H6.C3H4.C2H6/c1-4-13-7-14(9-16(8-13)20-3)10-17(18)15-6-5-12(2)19-11-15;1-7-5-4-6-8(2)9(7)3;1-2-3-1;1-3-2;1-2/h5-11H,4H2,1-3H3;5H,4,6H2,1-3H3;1-3H2;1H,2H3;1-2H3/b17-10-
• InChIKey: LNPYATZKTHKXPB-LUBKOGODSA-N
• XLogP: 10.33
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.76
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene?

The IUPAC name of cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene (CID 142350994) is cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene.

What is the SMILES notation for cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene?

The canonical SMILES for cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene is C#CC.C1CC1.CC.CC1=CCCC(C)=C1C.CCc1cc(/C=C(\F)c2ccc(C)nc2)cc(OC)c1.

What is the InChIKey of cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene?

The InChIKey is LNPYATZKTHKXPB-LUBKOGODSA-N. The full InChI is InChI=1S/C17H18FNO.C9H14.C3H6.C3H4.C2H6/c1-4-13-7-14(9-16(8-13)20-3)10-17(18)15-6-5-12(2)19-11-15;1-7-5-4-6-8(2)9(7)3;1-2-3-1;1-3-2;1-2/h5-11H,4H2,1-3H3;5H,4,6H2,1-3H3;1-3H2;1H,2H3;1-2H3/b17-10-;;;;.

What are the key properties of cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene?

cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene has a molecular weight of 505.76 g/mol, XLogP of 10.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropane;ethane;5-[(Z)-2-(3-ethyl-5-methoxyphenyl)-1-fluoroethenyl]-2-methylpyridine;prop-1-yne;1,2,3-trimethylcyclohexa-1,3-diene is sourced from PubChem (CID 142350994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).