(E)-2-cyano-3-(4-iodophenyl)prop-2-enamide

C10H7IN2O — CID 843298

IUPAC(E)-2-cyano-3-(4-iodophenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(I)cc1)C(N)=O
InChIInChI=1S/C10H7IN2O/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+
InChIKeyDNMLIOVKRLGXMB-VMPITWQZSA-N
MW298.08 g/mol
LogP1.68
Rot. Bonds2

About (E)-2-cyano-3-(4-iodophenyl)prop-2-enamide

(E)-2-cyano-3-(4-iodophenyl)prop-2-enamide (PubChem CID 843298) has the molecular formula C10H7IN2O and a molecular weight of 298.08 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-iodophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-iodophenyl)prop-2-enamide
PubChem CID843298
Molecular FormulaC10H7IN2O
Molecular Weight298.08 g/mol
Exact Mass297.96
IUPAC Name(E)-2-cyano-3-(4-iodophenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(I)cc1)C(N)=O
InChIInChI=1S/C10H7IN2O/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+
InChIKeyDNMLIOVKRLGXMB-VMPITWQZSA-N
XLogP1.68
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.08
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 57390634
2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 2732895
(E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
CID 736695
3-(4-iodophenyl)-2-methylprop-2-enamide
CID 70292207
(E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide
CID 142904803
(Z)-3-(4-butoxyphenyl)-2-cyanoprop-2-enamide
CID 2198362
(E)-2-cyano-N-(4-iodophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 19168661
(E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide
CID 56840682
2-cyano-3-(3-methylphenyl)prop-2-enamide
CID 3601300
4-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]benzamide
CID 50888047
2-cyano-3-[4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 4816639
3-(4-iodophenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile
CID 4011796

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-iodophenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-iodophenyl)prop-2-enamide (CID 843298) is (E)-2-cyano-3-(4-iodophenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-iodophenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-iodophenyl)prop-2-enamide is N#C/C(=C\c1ccc(I)cc1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(4-iodophenyl)prop-2-enamide?
The InChIKey is DNMLIOVKRLGXMB-VMPITWQZSA-N. The full InChI is InChI=1S/C10H7IN2O/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+.
What are the key properties of (E)-2-cyano-3-(4-iodophenyl)prop-2-enamide?
(E)-2-cyano-3-(4-iodophenyl)prop-2-enamide has a molecular weight of 298.08 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-iodophenyl)prop-2-enamide is sourced from PubChem (CID 843298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).