cyclohexylcarbamic acid;hydrate

C14H28N2O5 — CID 172719994

IUPACcyclohexylcarbamic acid;hydrate
SMILESO.O=C(O)NC1CCCCC1.O=C(O)NC1CCCCC1
InChIInChI=1S/2C7H13NO2.H2O/c2*9-7(10)8-6-4-2-1-3-5-6;/h2*6,8H,1-5H2,(H,9,10);1H2
InChIKeyGJKAIYLEIGGAFD-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.35
Rot. Bonds2

About cyclohexylcarbamic acid;hydrate

cyclohexylcarbamic acid;hydrate (PubChem CID 172719994) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is cyclohexylcarbamic acid;hydrate.

Molecular Properties

Compound Namecyclohexylcarbamic acid;hydrate
PubChem CID172719994
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Namecyclohexylcarbamic acid;hydrate
SMILESO.O=C(O)NC1CCCCC1.O=C(O)NC1CCCCC1
InChIInChI=1S/2C7H13NO2.H2O/c2*9-7(10)8-6-4-2-1-3-5-6;/h2*6,8H,1-5H2,(H,9,10);1H2
InChIKeyGJKAIYLEIGGAFD-UHFFFAOYSA-N
XLogP2.35
TPSA130.16 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexylcarbamic acid;hydrate?
The IUPAC name of cyclohexylcarbamic acid;hydrate (CID 172719994) is cyclohexylcarbamic acid;hydrate.
What is the SMILES notation for cyclohexylcarbamic acid;hydrate?
The canonical SMILES for cyclohexylcarbamic acid;hydrate is O.O=C(O)NC1CCCCC1.O=C(O)NC1CCCCC1.
What is the InChIKey of cyclohexylcarbamic acid;hydrate?
The InChIKey is GJKAIYLEIGGAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13NO2.H2O/c2*9-7(10)8-6-4-2-1-3-5-6;/h2*6,8H,1-5H2,(H,9,10);1H2.
What are the key properties of cyclohexylcarbamic acid;hydrate?
cyclohexylcarbamic acid;hydrate has a molecular weight of 304.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylcarbamic acid;hydrate is sourced from PubChem (CID 172719994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).