carbonochloridoyl(cyclohexyl)carbamic acid

C8H12ClNO3 — CID 88834306

IUPACcarbonochloridoyl(cyclohexyl)carbamic acid
SMILESO=C(O)N(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C8H12ClNO3/c9-7(11)10(8(12)13)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)
InChIKeyOALDJWAJYFATOP-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.66
Rot. Bonds1

About carbonochloridoyl(cyclohexyl)carbamic acid

carbonochloridoyl(cyclohexyl)carbamic acid (PubChem CID 88834306) has the molecular formula C8H12ClNO3 and a molecular weight of 205.64 g/mol. Its IUPAC name is carbonochloridoyl(cyclohexyl)carbamic acid.

Molecular Properties

Compound Namecarbonochloridoyl(cyclohexyl)carbamic acid
PubChem CID88834306
Molecular FormulaC8H12ClNO3
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Namecarbonochloridoyl(cyclohexyl)carbamic acid
SMILESO=C(O)N(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C8H12ClNO3/c9-7(11)10(8(12)13)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)
InChIKeyOALDJWAJYFATOP-UHFFFAOYSA-N
XLogP2.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid
CID 151845320
2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid
CID 70554590
N-cyclohexyl-N-(methylamino)carbamoyl chloride
CID 59986884
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
1-carbamothioyl-1-cyclohexylurea
CID 175078578
N-cyclopentyl-N-ethylcarbamoyl chloride
CID 15335411
N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride
CID 101418661
N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride
CID 140977814
cyclohexyl(piperidin-1-yl)carbamic acid
CID 150656962
carbonochloridic acid;cycloundecane
CID 88753248
N-cyclopentyl-N-propanoylpropanamide
CID 89181027
N-[2-[benzoyl(cyclohexyl)amino]-2-chloroethenyl]-N-cyclohexylbenzamide
CID 4575082

Frequently Asked Questions

What is the IUPAC name of carbonochloridoyl(cyclohexyl)carbamic acid?
The IUPAC name of carbonochloridoyl(cyclohexyl)carbamic acid (CID 88834306) is carbonochloridoyl(cyclohexyl)carbamic acid.
What is the SMILES notation for carbonochloridoyl(cyclohexyl)carbamic acid?
The canonical SMILES for carbonochloridoyl(cyclohexyl)carbamic acid is O=C(O)N(C(=O)Cl)C1CCCCC1.
What is the InChIKey of carbonochloridoyl(cyclohexyl)carbamic acid?
The InChIKey is OALDJWAJYFATOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO3/c9-7(11)10(8(12)13)6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13).
What are the key properties of carbonochloridoyl(cyclohexyl)carbamic acid?
carbonochloridoyl(cyclohexyl)carbamic acid has a molecular weight of 205.64 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridoyl(cyclohexyl)carbamic acid is sourced from PubChem (CID 88834306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).