(Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide

C14H10N2O3 — CID 67015291

IUPAC(Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide
SMILESN#C/C(=C/c1cc2cccc(O)c2cc1O)C(N)=O
InChIInChI=1S/C14H10N2O3/c15-7-10(14(16)19)5-9-4-8-2-1-3-12(17)11(8)6-13(9)18/h1-6,17-18H,(H2,16,19)/b10-5-
InChIKeySDIMNFDFISBIFP-YHYXMXQVSA-N
MW254.25 g/mol
LogP1.64
Rot. Bonds2

About (Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide

(Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide (PubChem CID 67015291) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide
PubChem CID67015291
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name(Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide
SMILESN#C/C(=C/c1cc2cccc(O)c2cc1O)C(N)=O
InChIInChI=1S/C14H10N2O3/c15-7-10(14(16)19)5-9-4-8-2-1-3-12(17)11(8)6-13(9)18/h1-6,17-18H,(H2,16,19)/b10-5-
InChIKeySDIMNFDFISBIFP-YHYXMXQVSA-N
XLogP1.64
TPSA107.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide
CID 5383858
(E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide
CID 122366406
3-(3-chloro-2-fluorophenyl)-2-cyanoprop-2-enamide
CID 57063759
2-cyano-3-(3-methylphenyl)prop-2-enamide
CID 3601300
(E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide
CID 142904803
3-(1,3-benzodioxol-4-yl)-2-cyanoprop-2-enamide
CID 47301808
(Z)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide
CID 54610321
(Z)-3-[2-chloro-4-(dimethylamino)phenyl]-2-cyanoprop-2-enamide
CID 6929763
3-(2-bromo-5-chlorophenyl)-2-cyanoprop-2-enamide
CID 71991679
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
(E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide
CID 727729
(Z)-3-(5-bromo-1H-indol-3-yl)-2-cyanoprop-2-enamide
CID 951959

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide (CID 67015291) is (Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide is N#C/C(=C/c1cc2cccc(O)c2cc1O)C(N)=O.
What is the InChIKey of (Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide?
The InChIKey is SDIMNFDFISBIFP-YHYXMXQVSA-N. The full InChI is InChI=1S/C14H10N2O3/c15-7-10(14(16)19)5-9-4-8-2-1-3-12(17)11(8)6-13(9)18/h1-6,17-18H,(H2,16,19)/b10-5-.
What are the key properties of (Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide?
(Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide has a molecular weight of 254.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide is sourced from PubChem (CID 67015291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).