ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one

C16H17NO — CID 91594762

IUPACethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
SMILESCC.O=C(/C=C/c1ccccn1)c1ccccc1
InChIInChI=1S/C14H11NO.C2H6/c16-14(12-6-2-1-3-7-12)10-9-13-8-4-5-11-15-13;1-2/h1-11H;1-2H3/b10-9+;
InChIKeyRUKQHCBGPCLGOJ-RRABGKBLSA-N
MW239.32 g/mol
LogP4.00
Rot. Bonds3

About ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one

ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one (PubChem CID 91594762) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Nameethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
PubChem CID91594762
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Nameethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
SMILESCC.O=C(/C=C/c1ccccn1)c1ccccc1
InChIInChI=1S/C14H11NO.C2H6/c16-14(12-6-2-1-3-7-12)10-9-13-8-4-5-11-15-13;1-2/h1-11H;1-2H3/b10-9+;
InChIKeyRUKQHCBGPCLGOJ-RRABGKBLSA-N
XLogP4.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 3292603
(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92856000
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
(E)-3-pyridin-2-yl-1-[6-[(E)-3-pyridin-2-ylprop-2-enoyl]-2-pyridinyl]prop-2-en-1-one
CID 6008977
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-1-[4-(3-chloropropoxy)phenyl]-3-pyridin-2-ylprop-2-en-1-one
CID 59036158
1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one
CID 175171565
2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride
CID 45048250
(E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 102588923
CID 11573267
CID 11573267
(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
CID 5357476
(E)-3-pyridin-2-yl-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
CID 170746428

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one (CID 91594762) is ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one is CC.O=C(/C=C/c1ccccn1)c1ccccc1.
What is the InChIKey of ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one?
The InChIKey is RUKQHCBGPCLGOJ-RRABGKBLSA-N. The full InChI is InChI=1S/C14H11NO.C2H6/c16-14(12-6-2-1-3-7-12)10-9-13-8-4-5-11-15-13;1-2/h1-11H;1-2H3/b10-9+;.
What are the key properties of ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one?
ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one has a molecular weight of 239.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 91594762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).