[4-(iodomethyl)cyclohexyl]carbamic acid

C8H14INO2 — CID 89239782

IUPAC[4-(iodomethyl)cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(CI)CC1
InChIInChI=1S/C8H14INO2/c9-5-6-1-3-7(4-2-6)10-8(11)12/h6-7,10H,1-5H2,(H,11,12)
InChIKeyPYAQQMQEYGDBEB-UHFFFAOYSA-N
MW283.11 g/mol
LogP2.25
Rot. Bonds2

About [4-(iodomethyl)cyclohexyl]carbamic acid

[4-(iodomethyl)cyclohexyl]carbamic acid (PubChem CID 89239782) has the molecular formula C8H14INO2 and a molecular weight of 283.11 g/mol. Its IUPAC name is [4-(iodomethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(iodomethyl)cyclohexyl]carbamic acid
PubChem CID89239782
Molecular FormulaC8H14INO2
Molecular Weight283.11 g/mol
Exact Mass283.01
IUPAC Name[4-(iodomethyl)cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(CI)CC1
InChIInChI=1S/C8H14INO2/c9-5-6-1-3-7(4-2-6)10-8(11)12/h6-7,10H,1-5H2,(H,11,12)
InChIKeyPYAQQMQEYGDBEB-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-iodocyclohexyl)carbamic acid
CID 68625935
[4-(methoxymethyl)cyclohexyl]carbamic acid
CID 66699748
[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 20729705
[(3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 89477249
[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 174154998
[4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid
CID 156534377
[(3R,6S)-6-(iodomethyl)oxan-3-yl]carbamic acid
CID 141137968
[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid
CID 70827651
[4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid
CID 174235468
cyclohexylcarbamic acid;hydrate
CID 172719994
[(1S,3R)-3-aminocyclopentyl]carbamic acid
CID 67513100
(5-aminocyclooctyl)carbamic acid
CID 89189209

Frequently Asked Questions

What is the IUPAC name of [4-(iodomethyl)cyclohexyl]carbamic acid?
The IUPAC name of [4-(iodomethyl)cyclohexyl]carbamic acid (CID 89239782) is [4-(iodomethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(iodomethyl)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(iodomethyl)cyclohexyl]carbamic acid is O=C(O)NC1CCC(CI)CC1.
What is the InChIKey of [4-(iodomethyl)cyclohexyl]carbamic acid?
The InChIKey is PYAQQMQEYGDBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14INO2/c9-5-6-1-3-7(4-2-6)10-8(11)12/h6-7,10H,1-5H2,(H,11,12).
What are the key properties of [4-(iodomethyl)cyclohexyl]carbamic acid?
[4-(iodomethyl)cyclohexyl]carbamic acid has a molecular weight of 283.11 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(iodomethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 89239782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).