(4-iodocyclohexyl)carbamic acid

C7H12INO2 — CID 68625935

IUPAC(4-iodocyclohexyl)carbamic acid
SMILESO=C(O)NC1CCC(I)CC1
InChIInChI=1S/C7H12INO2/c8-5-1-3-6(4-2-5)9-7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeySYEXFWVNLAOHQG-UHFFFAOYSA-N
MW269.08 g/mol
LogP2.00
Rot. Bonds1

About (4-iodocyclohexyl)carbamic acid

(4-iodocyclohexyl)carbamic acid (PubChem CID 68625935) has the molecular formula C7H12INO2 and a molecular weight of 269.08 g/mol. Its IUPAC name is (4-iodocyclohexyl)carbamic acid.

Molecular Properties

Compound Name(4-iodocyclohexyl)carbamic acid
PubChem CID68625935
Molecular FormulaC7H12INO2
Molecular Weight269.08 g/mol
Exact Mass268.99
IUPAC Name(4-iodocyclohexyl)carbamic acid
SMILESO=C(O)NC1CCC(I)CC1
InChIInChI=1S/C7H12INO2/c8-5-1-3-6(4-2-5)9-7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeySYEXFWVNLAOHQG-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.08
LogP ≤ 52.00
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-(iodomethyl)cyclohexyl]carbamic acid
CID 89239782
cyclohexylcarbamic acid;hydrate
CID 172719994
[4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid
CID 156534377
(4-methoxycyclohexyl)carbamic acid
CID 68557751
(4-ethynylcyclohexyl)carbamic acid
CID 90421089
[4-(1,2-diaminoethyl)cyclohexyl]carbamic acid
CID 91112356
[(1S,3R)-3-(methylamino)cyclopentyl]carbamic acid
CID 146636382
(3-aminocyclopentyl)carbamic acid
CID 69243227
[(1S,3R)-3-aminocyclopentyl]carbamic acid
CID 67513100
(5-aminocyclooctyl)carbamic acid
CID 89189209
[(3R)-3-aminocyclopentyl]carbamic acid
CID 68775558
[4-(methoxymethyl)cyclohexyl]carbamic acid
CID 66699748

Frequently Asked Questions

What is the IUPAC name of (4-iodocyclohexyl)carbamic acid?
The IUPAC name of (4-iodocyclohexyl)carbamic acid (CID 68625935) is (4-iodocyclohexyl)carbamic acid.
What is the SMILES notation for (4-iodocyclohexyl)carbamic acid?
The canonical SMILES for (4-iodocyclohexyl)carbamic acid is O=C(O)NC1CCC(I)CC1.
What is the InChIKey of (4-iodocyclohexyl)carbamic acid?
The InChIKey is SYEXFWVNLAOHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12INO2/c8-5-1-3-6(4-2-5)9-7(10)11/h5-6,9H,1-4H2,(H,10,11).
What are the key properties of (4-iodocyclohexyl)carbamic acid?
(4-iodocyclohexyl)carbamic acid has a molecular weight of 269.08 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodocyclohexyl)carbamic acid is sourced from PubChem (CID 68625935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).