(E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide

C10H12BrNO2 — CID 88913217

IUPAC(E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide
SMILESCC1C=C(/C=C/C(=O)NO)C(Br)=CC1
InChIInChI=1S/C10H12BrNO2/c1-7-2-4-9(11)8(6-7)3-5-10(13)12-14/h3-7,14H,2H2,1H3,(H,12,13)/b5-3+
InChIKeyFKTXKTHFMOTEQV-HWKANZROSA-N
MW258.12 g/mol
LogP2.29
Rot. Bonds2

About (E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide

(E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide (PubChem CID 88913217) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is (E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide
PubChem CID88913217
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name(E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide
SMILESCC1C=C(/C=C/C(=O)NO)C(Br)=CC1
InChIInChI=1S/C10H12BrNO2/c1-7-2-4-9(11)8(6-7)3-5-10(13)12-14/h3-7,14H,2H2,1H3,(H,12,13)/b5-3+
InChIKeyFKTXKTHFMOTEQV-HWKANZROSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene
CID 123379590
(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]prop-1-enyl]phenyl]prop-2-enamide
CID 44555326
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 131237074
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
CID 47099867
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
3,6-dimethylcyclohexa-1,5-diene-1-carboxylic acid
CID 123404809
(E)-N-hydroxy-3-[1-methyl-2-[[[(4S)-4-methylcyclohexa-1,5-dien-1-yl]methylamino]methyl]benzimidazol-5-yl]prop-2-enamide
CID 89061406
(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide
CID 166920810

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide (CID 88913217) is (E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide is CC1C=C(/C=C/C(=O)NO)C(Br)=CC1.
What is the InChIKey of (E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide?
The InChIKey is FKTXKTHFMOTEQV-HWKANZROSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7-2-4-9(11)8(6-7)3-5-10(13)12-14/h3-7,14H,2H2,1H3,(H,12,13)/b5-3+.
What are the key properties of (E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide?
(E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide has a molecular weight of 258.12 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-bromo-3-methylcyclohexa-1,5-dien-1-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 88913217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).