[(1R)-1-isocyanatoethyl]cyclohexane

C9H15NO — CID 51387275

IUPAC[(1R)-1-isocyanatoethyl]cyclohexane
SMILESC[C@@H](N=C=O)C1CCCCC1
InChIInChI=1S/C9H15NO/c1-8(10-7-11)9-5-3-2-4-6-9/h8-9H,2-6H2,1H3/t8-/m1/s1
InChIKeyIGSKYRAPJLTXSO-MRVPVSSYSA-N
MW153.22 g/mol
LogP2.29
Rot. Bonds2

About [(1R)-1-isocyanatoethyl]cyclohexane

[(1R)-1-isocyanatoethyl]cyclohexane (PubChem CID 51387275) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is [(1R)-1-isocyanatoethyl]cyclohexane.

Molecular Properties

Compound Name[(1R)-1-isocyanatoethyl]cyclohexane
PubChem CID51387275
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name[(1R)-1-isocyanatoethyl]cyclohexane
SMILESC[C@@H](N=C=O)C1CCCCC1
InChIInChI=1S/C9H15NO/c1-8(10-7-11)9-5-3-2-4-6-9/h8-9H,2-6H2,1H3/t8-/m1/s1
InChIKeyIGSKYRAPJLTXSO-MRVPVSSYSA-N
XLogP2.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

1-isocyanatoethylcycloheptane
CID 84765305
[cyclohexyl(isocyanato)methyl]cyclohexane;isocyanic acid
CID 175125443
1,3,5-tris(1-cyclohexyl-2-isocyanatopropyl)-1,3,5-triazinane-2,4,6-trione
CID 54560237
2-cycloheptyl-2-isocyanatoacetonitrile
CID 82884888
[(1R)-1-isocyanatopentyl]cyclohexane
CID 139402850
1-(aminodiazenyl)ethylcyclohexane
CID 67921156
1,3-dimethylcyclohexane;2-isocyanatopropane
CID 159407398
2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine
CID 170900098
2-[cyclohexyl(isocyanato)methyl]-1,1-dimethylcyclohexane
CID 87092454
4-(1-cyclohexylethyl)-1,1-diisocyanatocyclohexane
CID 22909888
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-isocyanatoethyl]cyclohexane?
The IUPAC name of [(1R)-1-isocyanatoethyl]cyclohexane (CID 51387275) is [(1R)-1-isocyanatoethyl]cyclohexane.
What is the SMILES notation for [(1R)-1-isocyanatoethyl]cyclohexane?
The canonical SMILES for [(1R)-1-isocyanatoethyl]cyclohexane is C[C@@H](N=C=O)C1CCCCC1.
What is the InChIKey of [(1R)-1-isocyanatoethyl]cyclohexane?
The InChIKey is IGSKYRAPJLTXSO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(10-7-11)9-5-3-2-4-6-9/h8-9H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of [(1R)-1-isocyanatoethyl]cyclohexane?
[(1R)-1-isocyanatoethyl]cyclohexane has a molecular weight of 153.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-isocyanatoethyl]cyclohexane is sourced from PubChem (CID 51387275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).