ethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate

C14H23NO2 — CID 535093

IUPACethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate
SMILESCCOC(=O)C/N=C1/CC2(C(C)C)CC2C1C
InChIInChI=1S/C14H23NO2/c1-5-17-13(16)8-15-12-7-14(9(2)3)6-11(14)10(12)4/h9-11H,5-8H2,1-4H3/b15-12-
InChIKeyIQXCOJHIQCWYCY-QINSGFPZSA-N
MW237.34 g/mol
LogP2.69
Rot. Bonds4

About ethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate

ethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate (PubChem CID 535093) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate
PubChem CID535093
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate
SMILESCCOC(=O)C/N=C1/CC2(C(C)C)CC2C1C
InChIInChI=1S/C14H23NO2/c1-5-17-13(16)8-15-12-7-14(9(2)3)6-11(14)10(12)4/h9-11H,5-8H2,1-4H3/b15-12-
InChIKeyIQXCOJHIQCWYCY-QINSGFPZSA-N
XLogP2.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate?
The IUPAC name of ethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate (CID 535093) is ethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate?
The canonical SMILES for ethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate is CCOC(=O)C/N=C1/CC2(C(C)C)CC2C1C.
What is the InChIKey of ethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate?
The InChIKey is IQXCOJHIQCWYCY-QINSGFPZSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-17-13(16)8-15-12-7-14(9(2)3)6-11(14)10(12)4/h9-11H,5-8H2,1-4H3/b15-12-.
What are the key properties of ethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate?
ethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate has a molecular weight of 237.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]acetate is sourced from PubChem (CID 535093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).