ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate

C12H21NO2 — CID 15275325

IUPACethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(NC(C)C)CCCC1
InChIInChI=1S/C12H21NO2/c1-4-15-12(14)10-7-5-6-8-11(10)13-9(2)3/h9,13H,4-8H2,1-3H3
InChIKeyNRZSOZPWMCASSB-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.38
Rot. Bonds4

About ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate

ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate (PubChem CID 15275325) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate
PubChem CID15275325
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(NC(C)C)CCCC1
InChIInChI=1S/C12H21NO2/c1-4-15-12(14)10-7-5-6-8-11(10)13-9(2)3/h9,13H,4-8H2,1-3H3
InChIKeyNRZSOZPWMCASSB-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(hexylamino)cyclohexene-1-carboxylate
CID 163974883
ethyl 2-[(3-methoxy-3-oxopropanoyl)amino]cycloheptene-1-carboxylate
CID 54551622
ethyl 2-iodocyclohexene-1-carboxylate
CID 11065817
ethyl 2-[(4-methoxyphenyl)methylamino]cyclohexene-1-carboxylate
CID 71499745
ethyl 2-[2-(4-chlorophenyl)ethylamino]cyclohexene-1-carboxylate
CID 71499746
ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptene-1-carboxylate
CID 102270210
1-O,2-O-diethyl 4-O,5-O-dimethyl cyclohexa-1,4-diene-1,2,4,5-tetracarboxylate
CID 134086921
ethyl 2-phenylcyclohexene-1-carboxylate
CID 15667923
ethyl 5-methyl-2,3-dihydrothiophene-4-carboxylate
CID 10419641
methyl 2-(2-ethoxy-2-oxoethyl)cyclohexene-1-carboxylate
CID 24869697
ethyl 2-chloro-5-[(2-ethoxycarbonylcyclopenten-1-yl)carbamoylamino]benzoate
CID 21270704
ethyl 2-aminocyclopropene-1-carboxylate
CID 54193100

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate?
The IUPAC name of ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate (CID 15275325) is ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate?
The canonical SMILES for ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate is CCOC(=O)C1=C(NC(C)C)CCCC1.
What is the InChIKey of ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate?
The InChIKey is NRZSOZPWMCASSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-15-12(14)10-7-5-6-8-11(10)13-9(2)3/h9,13H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate?
ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate is sourced from PubChem (CID 15275325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).