(E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one

C18H13NO2 — CID 82185423

IUPAC(E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1c(O)ccc2ccccc12)c1cccnc1
InChIInChI=1S/C18H13NO2/c20-17(14-5-3-11-19-12-14)10-8-16-15-6-2-1-4-13(15)7-9-18(16)21/h1-12,21H/b10-8+
InChIKeyIWWDYXCJQHKYOS-CSKARUKUSA-N
MW275.31 g/mol
LogP3.84
Rot. Bonds3

About (E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one

(E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 82185423) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one
PubChem CID82185423
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name(E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1c(O)ccc2ccccc12)c1cccnc1
InChIInChI=1S/C18H13NO2/c20-17(14-5-3-11-19-12-14)10-8-16-15-6-2-1-4-13(15)7-9-18(16)21/h1-12,21H/b10-8+
InChIKeyIWWDYXCJQHKYOS-CSKARUKUSA-N
XLogP3.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one
CID 14509487
3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 78574297
(E)-3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7946379
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
N'-(2-hydroxynaphthalene-1-carbonyl)pyridine-3-carbohydrazide
CID 153395646
acetic acid;copper;bis((E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one)
CID 134081608
4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 53427422
(Z)-4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 167311390
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
(Z)-3-anthracen-9-yl-1-phenanthren-2-ylprop-2-en-1-one
CID 92909364
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethanol
CID 141451458

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one (CID 82185423) is (E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1c(O)ccc2ccccc12)c1cccnc1.
What is the InChIKey of (E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is IWWDYXCJQHKYOS-CSKARUKUSA-N. The full InChI is InChI=1S/C18H13NO2/c20-17(14-5-3-11-19-12-14)10-8-16-15-6-2-1-4-13(15)7-9-18(16)21/h1-12,21H/b10-8+.
What are the key properties of (E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one?
(E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one has a molecular weight of 275.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 82185423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).