ethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate

C12H19NO3 — CID 146186483

IUPACethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CC[C@H](N(C)C(C)=O)CC1
InChIInChI=1S/C12H19NO3/c1-4-16-12(15)10-5-7-11(8-6-10)13(3)9(2)14/h5,11H,4,6-8H2,1-3H3/t11-/m0/s1
InChIKeyVDLKBMNASPBUQZ-NSHDSACASA-N
MW225.29 g/mol
LogP1.51
Rot. Bonds3

About ethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate

ethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate (PubChem CID 146186483) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate
PubChem CID146186483
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CC[C@H](N(C)C(C)=O)CC1
InChIInChI=1S/C12H19NO3/c1-4-16-12(15)10-5-7-11(8-6-10)13(3)9(2)14/h5,11H,4,6-8H2,1-3H3/t11-/m0/s1
InChIKeyVDLKBMNASPBUQZ-NSHDSACASA-N
XLogP1.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate?
The IUPAC name of ethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate (CID 146186483) is ethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate.
What is the SMILES notation for ethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate?
The canonical SMILES for ethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate is CCOC(=O)C1=CC[C@H](N(C)C(C)=O)CC1.
What is the InChIKey of ethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate?
The InChIKey is VDLKBMNASPBUQZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-16-12(15)10-5-7-11(8-6-10)13(3)9(2)14/h5,11H,4,6-8H2,1-3H3/t11-/m0/s1.
What are the key properties of ethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate?
ethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-[acetyl(methyl)amino]cyclohexene-1-carboxylate is sourced from PubChem (CID 146186483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).