(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide

C10H7ClN2O2 — CID 5383858

IUPAC(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide
SMILESN#C/C(=C/c1cc(Cl)ccc1O)C(N)=O
InChIInChI=1S/C10H7ClN2O2/c11-8-1-2-9(14)6(4-8)3-7(5-12)10(13)15/h1-4,14H,(H2,13,15)/b7-3-
InChIKeyFNOYJMPRVSISDW-CLTKARDFSA-N
MW222.63 g/mol
LogP1.44
Rot. Bonds2

About (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide

(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide (PubChem CID 5383858) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide
PubChem CID5383858
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide
SMILESN#C/C(=C/c1cc(Cl)ccc1O)C(N)=O
InChIInChI=1S/C10H7ClN2O2/c11-8-1-2-9(14)6(4-8)3-7(5-12)10(13)15/h1-4,14H,(H2,13,15)/b7-3-
InChIKeyFNOYJMPRVSISDW-CLTKARDFSA-N
XLogP1.44
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-enoyl chloride
CID 39255868
3-(2-bromo-5-chlorophenyl)-2-cyanoprop-2-enamide
CID 71991679
2-[(5-chloro-2-hydroxyphenyl)methylidene]propanedinitrile
CID 21443
(E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide
CID 122366406
(Z)-2-cyano-3-(3,5-dihydroxynaphthalen-2-yl)prop-2-enamide
CID 67015291
(E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide
CID 17269852
2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide
CID 2737937
(E)-3-(5-chloro-2-hydroxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
CID 21382552
3-(5-chloro-2-hydroxyphenyl)prop-2-enenitrile
CID 169483116
(E)-3-(4-chloroanilino)-2-cyanoprop-2-enamide
CID 780393
(Z)-3-[2-chloro-4-(dimethylamino)phenyl]-2-cyanoprop-2-enamide
CID 6929763
3-(3-chloro-2-fluorophenyl)-2-cyanoprop-2-enamide
CID 57063759

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide (CID 5383858) is (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide is N#C/C(=C/c1cc(Cl)ccc1O)C(N)=O.
What is the InChIKey of (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide?
The InChIKey is FNOYJMPRVSISDW-CLTKARDFSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-8-1-2-9(14)6(4-8)3-7(5-12)10(13)15/h1-4,14H,(H2,13,15)/b7-3-.
What are the key properties of (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide?
(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide has a molecular weight of 222.63 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide is sourced from PubChem (CID 5383858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).