(E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one

C18H18N2O — CID 144927456

IUPAC(E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one
SMILESC=C/C(=C\CN)C(=O)Cc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C18H18N2O/c1-2-14(10-11-19)18(21)12-17-9-8-16(13-20-17)15-6-4-3-5-7-15/h2-10,13H,1,11-12,19H2/b14-10+
InChIKeyLQXVVSCKZDZNSZ-GXDHUFHOSA-N
MW278.36 g/mol
LogP2.93
Rot. Bonds6

About (E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one

(E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one (PubChem CID 144927456) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one
PubChem CID144927456
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one
SMILESC=C/C(=C\CN)C(=O)Cc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C18H18N2O/c1-2-14(10-11-19)18(21)12-17-9-8-16(13-20-17)15-6-4-3-5-7-15/h2-10,13H,1,11-12,19H2/b14-10+
InChIKeyLQXVVSCKZDZNSZ-GXDHUFHOSA-N
XLogP2.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one
CID 144927496
[2-methylpropanoyloxymethoxy-[(5-phenyl-2-pyridinyl)methyl]phosphanyl]oxymethyl 2-methylpropanoate
CID 123740473
5-bromo-2-methylpyridine;ethyl 2-(5-phenyl-2-pyridinyl)acetate;2-methyl-5-phenylpyridine
CID 159251873
ethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol
CID 144927499
ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane
CID 144927453
2-methyl-1-(5-phenyl-2-pyridinyl)propan-2-ol
CID 115009058
2-phenyl-3-(5-phenyl-2-pyridinyl)propan-1-amine
CID 144927473
ethane;ethene;(E)-3-ethenyl-2-[(5-phenyl-2-pyridinyl)methyl]pent-3-enenitrile
CID 144927624
1-phenyl-2-(5-phenyl-2-pyridinyl)ethanol
CID 144927462
2-(5-phenylpyrimidin-2-yl)acetic acid
CID 83917086
3-(5-phenyl-2-pyridinyl)prop-2-ynoate
CID 170672214
2-phenyl-1-(5-phenyl-2-pyridinyl)propan-2-ol
CID 129158773

Frequently Asked Questions

What is the IUPAC name of (E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one?
The IUPAC name of (E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one (CID 144927456) is (E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one.
What is the SMILES notation for (E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one?
The canonical SMILES for (E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one is C=C/C(=C\CN)C(=O)Cc1ccc(-c2ccccc2)cn1.
What is the InChIKey of (E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one?
The InChIKey is LQXVVSCKZDZNSZ-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-14(10-11-19)18(21)12-17-9-8-16(13-20-17)15-6-4-3-5-7-15/h2-10,13H,1,11-12,19H2/b14-10+.
What are the key properties of (E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one?
(E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one has a molecular weight of 278.36 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one is sourced from PubChem (CID 144927456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).