1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene

C10H9Br2NO — CID 91295847

IUPAC1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene
SMILESCC(N=O)c1cccc(C=C(Br)Br)c1
InChIInChI=1S/C10H9Br2NO/c1-7(13-14)9-4-2-3-8(5-9)6-10(11)12/h2-7H,1H3
InChIKeyDHMOAHPSEITMND-UHFFFAOYSA-N
MW319.00 g/mol
LogP4.60
Rot. Bonds3

About 1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene

1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene (PubChem CID 91295847) has the molecular formula C10H9Br2NO and a molecular weight of 319.00 g/mol. Its IUPAC name is 1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene.

Molecular Properties

Compound Name1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene
PubChem CID91295847
Molecular FormulaC10H9Br2NO
Molecular Weight319.00 g/mol
Exact Mass316.91
IUPAC Name1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene
SMILESCC(N=O)c1cccc(C=C(Br)Br)c1
InChIInChI=1S/C10H9Br2NO/c1-7(13-14)9-4-2-3-8(5-9)6-10(11)12/h2-7H,1H3
InChIKeyDHMOAHPSEITMND-UHFFFAOYSA-N
XLogP4.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.00
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Z)-3-bromo-2-methylprop-1-enyl]-3-(difluoromethyl)benzene
CID 115530172
2,2-dibromo(113C)ethenylbenzene
CID 131856077
1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene
CID 137346881
3-(1-hydroxy-2,2-dimethylpropyl)benzaldehyde
CID 115019110
6-[3-(2,2-dibromoethenyl)phenyl]hexan-2-one
CID 122606761
3-(1-fluoroethyl)benzaldehyde
CID 83856182
1-amino-1-(3-ethenylphenyl)propan-2-one
CID 55291831
(E)-4-[3-(difluoromethyl)phenyl]but-3-en-2-one
CID 89339994
3-pentan-2-ylbenzaldehyde
CID 139685912
3-(1-fluoro-2-methylpropyl)benzaldehyde
CID 83856184
1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene
CID 125476830
(3-benzylidene-4-phenylpentan-2-yl)benzene
CID 10781434

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene?
The IUPAC name of 1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene (CID 91295847) is 1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene.
What is the SMILES notation for 1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene?
The canonical SMILES for 1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene is CC(N=O)c1cccc(C=C(Br)Br)c1.
What is the InChIKey of 1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene?
The InChIKey is DHMOAHPSEITMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO/c1-7(13-14)9-4-2-3-8(5-9)6-10(11)12/h2-7H,1H3.
What are the key properties of 1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene?
1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene has a molecular weight of 319.00 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibromoethenyl)-3-(1-nitrosoethyl)benzene is sourced from PubChem (CID 91295847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).