ethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate

C18H23NO2 — CID 73136183

IUPACethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate
SMILES[H]/N=C1\c2ccccc2CC2(CCCCC2)C1C(=O)OCC
InChIInChI=1S/C18H23NO2/c1-2-21-17(20)15-16(19)14-9-5-4-8-13(14)12-18(15)10-6-3-7-11-18/h4-5,8-9,15,19H,2-3,6-7,10-12H2,1H3/b19-16+
InChIKeyHWVNAAULSQKECV-KNTRCKAVSA-N
MW285.39 g/mol
LogP3.74
Rot. Bonds2

About ethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate

ethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate (PubChem CID 73136183) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is ethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate
PubChem CID73136183
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Nameethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate
SMILES[H]/N=C1\c2ccccc2CC2(CCCCC2)C1C(=O)OCC
InChIInChI=1S/C18H23NO2/c1-2-21-17(20)15-16(19)14-9-5-4-8-13(14)12-18(15)10-6-3-7-11-18/h4-5,8-9,15,19H,2-3,6-7,10-12H2,1H3/b19-16+
InChIKeyHWVNAAULSQKECV-KNTRCKAVSA-N
XLogP3.74
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,4aS,9E,10aR)-9-methoxyimino-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
CID 52943924
(1R,4aS,9E,10aR)-1,4a-dimethyl-7-propan-2-yl-9-prop-2-enoxyimino-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
CID 52945141
(1R,4aS,9E,10aR)-1,4a-dimethyl-7-propan-2-yl-9-prop-2-ynoxyimino-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
CID 52945167
(1R,4aS,9E,10aR)-1,4a-dimethyl-9-(3-phenylpropoxyimino)-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
CID 52946388
(1R,4aS,9E,10aR)-9-hydroxyimino-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
CID 52949969
(1R,4aS,10aR)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 134135826
(1R,4aS,10aR)-6-(C-cyclohexyl-N-prop-2-enoxycarbonimidoyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 134136378
(1R,4aS,10aR)-1,4a-dimethyl-6-[(E)-C-methyl-N-prop-2-ynoxycarbonimidoyl]-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 134136989
(1R,4aS,10aR)-6-(N-hydroxy-C-propylcarbonimidoyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 134138296
(1R,4aS,10aR)-1,4a-dimethyl-6-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 134139086
(1R,4aS,10aR)-6-(C-cyclohexyl-N-prop-2-ynoxycarbonimidoyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 134139589
(1R,4aS,10aR)-6-[(E)-N-methoxy-C-propan-2-ylcarbonimidoyl]-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 134140736

Frequently Asked Questions

What is the IUPAC name of ethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate?
The IUPAC name of ethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate (CID 73136183) is ethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate.
What is the SMILES notation for ethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate?
The canonical SMILES for ethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate is [H]/N=C1\c2ccccc2CC2(CCCCC2)C1C(=O)OCC.
What is the InChIKey of ethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate?
The InChIKey is HWVNAAULSQKECV-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-21-17(20)15-16(19)14-9-5-4-8-13(14)12-18(15)10-6-3-7-11-18/h4-5,8-9,15,19H,2-3,6-7,10-12H2,1H3/b19-16+.
What are the key properties of ethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate?
ethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-iminospiro[2,4-dihydronaphthalene-3,1'-cyclohexane]-2-carboxylate is sourced from PubChem (CID 73136183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).