ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine

C15H23N — CID 178008358

IUPACethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine
SMILESC=Cc1ncc(C(C)C)cc1/C=C\C.CC
InChIInChI=1S/C13H17N.C2H6/c1-5-7-11-8-12(10(3)4)9-14-13(11)6-2;1-2/h5-10H,2H2,1,3-4H3;1-2H3/b7-5-;
InChIKeyIYGBYILNIDBCLJ-YJOCEBFMSA-N
MW217.36 g/mol
LogP4.91
Rot. Bonds3

About ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine

ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine (PubChem CID 178008358) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine.

Molecular Properties

Compound Nameethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine
PubChem CID178008358
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nameethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine
SMILESC=Cc1ncc(C(C)C)cc1/C=C\C.CC
InChIInChI=1S/C13H17N.C2H6/c1-5-7-11-8-12(10(3)4)9-14-13(11)6-2;1-2/h5-10H,2H2,1,3-4H3;1-2H3/b7-5-;
InChIKeyIYGBYILNIDBCLJ-YJOCEBFMSA-N
XLogP4.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine?
The IUPAC name of ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine (CID 178008358) is ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine.
What is the SMILES notation for ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine?
The canonical SMILES for ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine is C=Cc1ncc(C(C)C)cc1/C=C\C.CC.
What is the InChIKey of ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine?
The InChIKey is IYGBYILNIDBCLJ-YJOCEBFMSA-N. The full InChI is InChI=1S/C13H17N.C2H6/c1-5-7-11-8-12(10(3)4)9-14-13(11)6-2;1-2/h5-10H,2H2,1,3-4H3;1-2H3/b7-5-;.
What are the key properties of ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine?
ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine has a molecular weight of 217.36 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine is sourced from PubChem (CID 178008358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).