1,2-dichloro-4-nitrosobut-1-ene

C4H5Cl2NO — CID 173460621

IUPAC1,2-dichloro-4-nitrosobut-1-ene
SMILESO=NCCC(Cl)=CCl
InChIInChI=1S/C4H5Cl2NO/c5-3-4(6)1-2-7-8/h3H,1-2H2
InChIKeySLRLCDAWNPMPKK-UHFFFAOYSA-N
MW154.00 g/mol
LogP2.46
Rot. Bonds3

About 1,2-dichloro-4-nitrosobut-1-ene

1,2-dichloro-4-nitrosobut-1-ene (PubChem CID 173460621) has the molecular formula C4H5Cl2NO and a molecular weight of 154.00 g/mol. Its IUPAC name is 1,2-dichloro-4-nitrosobut-1-ene.

Molecular Properties

Compound Name1,2-dichloro-4-nitrosobut-1-ene
PubChem CID173460621
Molecular FormulaC4H5Cl2NO
Molecular Weight154.00 g/mol
Exact Mass152.97
IUPAC Name1,2-dichloro-4-nitrosobut-1-ene
SMILESO=NCCC(Cl)=CCl
InChIInChI=1S/C4H5Cl2NO/c5-3-4(6)1-2-7-8/h3H,1-2H2
InChIKeySLRLCDAWNPMPKK-UHFFFAOYSA-N
XLogP2.46
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.00
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[2,3-dichloroprop-2-enyl(methyl)amino]propanoic acid
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1-(4-chlorophenyl)-3-nitrosopropan-1-one
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2-(2,3-dichloroprop-2-enylsulfanyl)acetic acid
CID 79168464
2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid
CID 79172875
2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene
CID 54261017
(Z)-6-nitroso-3-propan-2-ylhex-2-ene
CID 163554902
1,1,2-trichloroethene
CID 23616282
ethyl (E)-3,4-dichlorobut-3-enoate
CID 165347749
(E)-6-nitrosohex-2-ene
CID 89018657

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-nitrosobut-1-ene?
The IUPAC name of 1,2-dichloro-4-nitrosobut-1-ene (CID 173460621) is 1,2-dichloro-4-nitrosobut-1-ene.
What is the SMILES notation for 1,2-dichloro-4-nitrosobut-1-ene?
The canonical SMILES for 1,2-dichloro-4-nitrosobut-1-ene is O=NCCC(Cl)=CCl.
What is the InChIKey of 1,2-dichloro-4-nitrosobut-1-ene?
The InChIKey is SLRLCDAWNPMPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl2NO/c5-3-4(6)1-2-7-8/h3H,1-2H2.
What are the key properties of 1,2-dichloro-4-nitrosobut-1-ene?
1,2-dichloro-4-nitrosobut-1-ene has a molecular weight of 154.00 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-nitrosobut-1-ene is sourced from PubChem (CID 173460621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).