ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine

C12H19NO — CID 143443424

IUPACethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine
SMILESCC.CCOC/C=C/c1ccccn1
InChIInChI=1S/C10H13NO.C2H6/c1-2-12-9-5-7-10-6-3-4-8-11-10;1-2/h3-8H,2,9H2,1H3;1-2H3/b7-5+;
InChIKeyUGQMPDXWVBUQJP-GZOLSCHFSA-N
MW193.29 g/mol
LogP3.16
Rot. Bonds4

About ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine

ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine (PubChem CID 143443424) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine.

Molecular Properties

Compound Nameethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine
PubChem CID143443424
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine
SMILESCC.CCOC/C=C/c1ccccn1
InChIInChI=1S/C10H13NO.C2H6/c1-2-12-9-5-7-10-6-3-4-8-11-10;1-2/h3-8H,2,9H2,1H3;1-2H3/b7-5+;
InChIKeyUGQMPDXWVBUQJP-GZOLSCHFSA-N
XLogP3.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-pent-1-enyl]pyridine
CID 45079869
3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine
CID 89150413
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
2-[(E)-dodec-1-enyl]pyridine
CID 166438666
2-penta-1,4-dienylpyridine
CID 66927735
2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine
CID 76849458
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
2-[(E)-3-ethoxyprop-1-enyl]-5-methoxypyrazine
CID 134511053
2-(4-phenylbut-1-enyl)pyridine
CID 68904769
2-[(E)-4-phenylbut-1-enyl]pyridine
CID 68904767
2-[(E)-3-methylpent-1-enyl]pyridine
CID 154695111
methanamine;2-[(Z)-prop-1-enyl]pyridine
CID 143751771

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine?
The IUPAC name of ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine (CID 143443424) is ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine.
What is the SMILES notation for ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine?
The canonical SMILES for ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine is CC.CCOC/C=C/c1ccccn1.
What is the InChIKey of ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine?
The InChIKey is UGQMPDXWVBUQJP-GZOLSCHFSA-N. The full InChI is InChI=1S/C10H13NO.C2H6/c1-2-12-9-5-7-10-6-3-4-8-11-10;1-2/h3-8H,2,9H2,1H3;1-2H3/b7-5+;.
What are the key properties of ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine?
ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine has a molecular weight of 193.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine is sourced from PubChem (CID 143443424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).