ethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate

C17H23NO3 — CID 10379421

IUPACethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate
SMILESCCOC(=O)[C@@]12CCCC[C@]1(NOC)c1ccccc1C2
InChIInChI=1S/C17H23NO3/c1-3-21-15(19)16-10-6-7-11-17(16,18-20-2)14-9-5-4-8-13(14)12-16/h4-5,8-9,18H,3,6-7,10-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyNWOOGSKHCJRXDW-IRXDYDNUSA-N
MW289.38 g/mol
LogP2.71
Rot. Bonds4

About ethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate

ethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate (PubChem CID 10379421) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate.

Molecular Properties

Compound Nameethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate
PubChem CID10379421
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate
SMILESCCOC(=O)[C@@]12CCCC[C@]1(NOC)c1ccccc1C2
InChIInChI=1S/C17H23NO3/c1-3-21-15(19)16-10-6-7-11-17(16,18-20-2)14-9-5-4-8-13(14)12-16/h4-5,8-9,18H,3,6-7,10-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyNWOOGSKHCJRXDW-IRXDYDNUSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate
CID 10880345
ethyl (3aR,8bS)-2-(2-methoxy-2-oxoethyl)-8b-methyl-1-phenylmethoxy-3,4-dihydro-2H-indeno[1,2-b]pyrrole-3a-carboxylate
CID 11625991
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
dimethyl tetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-1,8-dicarboxylate
CID 102099332
ethyl 1-(2-methoxyphenyl)-2-oxocyclopentane-1-carboxylate
CID 13040813
ethyl (1S)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 155818705
ethyl 5-(2-methylpropylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylate
CID 61002653
diethyl 6,8-dioxobicyclo[3.2.2]nonane-1,5-dicarboxylate
CID 2825180
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 14546673
ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715

Frequently Asked Questions

What is the IUPAC name of ethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate?
The IUPAC name of ethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate (CID 10379421) is ethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate.
What is the SMILES notation for ethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate?
The canonical SMILES for ethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate is CCOC(=O)[C@@]12CCCC[C@]1(NOC)c1ccccc1C2.
What is the InChIKey of ethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate?
The InChIKey is NWOOGSKHCJRXDW-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-21-15(19)16-10-6-7-11-17(16,18-20-2)14-9-5-4-8-13(14)12-16/h4-5,8-9,18H,3,6-7,10-12H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of ethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate?
ethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate is sourced from PubChem (CID 10379421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).