cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid

C11H19NO3 — CID 87182283

IUPACcyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid
SMILESCC(C1CO1)N(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-8(10-7-15-10)12(11(13)14)9-5-3-2-4-6-9/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyMLVMFAMLEFAOKJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.09
Rot. Bonds3

About cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid

cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid (PubChem CID 87182283) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid.

Molecular Properties

Compound Namecyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid
PubChem CID87182283
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namecyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid
SMILESCC(C1CO1)N(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-8(10-7-15-10)12(11(13)14)9-5-3-2-4-6-9/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyMLVMFAMLEFAOKJ-UHFFFAOYSA-N
XLogP2.09
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid?
The IUPAC name of cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid (CID 87182283) is cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid.
What is the SMILES notation for cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid?
The canonical SMILES for cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid is CC(C1CO1)N(C(=O)O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid?
The InChIKey is MLVMFAMLEFAOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(10-7-15-10)12(11(13)14)9-5-3-2-4-6-9/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid?
cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid has a molecular weight of 213.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid is sourced from PubChem (CID 87182283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).