3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine

C21H29N — CID 134377117

IUPAC3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine
SMILESC=CC1=CN(C2(CC)CC2CCC)C(C(=C)C)=C(C=C)C1=C
InChIInChI=1S/C21H29N/c1-8-12-18-13-21(18,11-4)22-14-17(9-2)16(7)19(10-3)20(22)15(5)6/h9-10,14,18H,2-3,5,7-8,11-13H2,1,4,6H3
InChIKeyDOMIQTWHLHZQFB-UHFFFAOYSA-N
MW295.47 g/mol
LogP5.91
Rot. Bonds7

About 3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine

3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine (PubChem CID 134377117) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine
PubChem CID134377117
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine
SMILESC=CC1=CN(C2(CC)CC2CCC)C(C(=C)C)=C(C=C)C1=C
InChIInChI=1S/C21H29N/c1-8-12-18-13-21(18,11-4)22-14-17(9-2)16(7)19(10-3)20(22)15(5)6/h9-10,14,18H,2-3,5,7-8,11-13H2,1,4,6H3
InChIKeyDOMIQTWHLHZQFB-UHFFFAOYSA-N
XLogP5.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine?
The IUPAC name of 3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine (CID 134377117) is 3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine.
What is the SMILES notation for 3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine?
The canonical SMILES for 3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine is C=CC1=CN(C2(CC)CC2CCC)C(C(=C)C)=C(C=C)C1=C.
What is the InChIKey of 3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine?
The InChIKey is DOMIQTWHLHZQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-8-12-18-13-21(18,11-4)22-14-17(9-2)16(7)19(10-3)20(22)15(5)6/h9-10,14,18H,2-3,5,7-8,11-13H2,1,4,6H3.
What are the key properties of 3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine?
3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine has a molecular weight of 295.47 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine is sourced from PubChem (CID 134377117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).