ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate

C16H21NO3 — CID 10880345

IUPACethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate
SMILESCCOC(=O)C12CCCC1(NOC)c1ccccc1C2
InChIInChI=1S/C16H21NO3/c1-3-20-14(18)15-9-6-10-16(15,17-19-2)13-8-5-4-7-12(13)11-15/h4-5,7-8,17H,3,6,9-11H2,1-2H3
InChIKeyXCSDDWIYTPJMHH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.32
Rot. Bonds4

About ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate

ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate (PubChem CID 10880345) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate.

Molecular Properties

Compound Nameethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate
PubChem CID10880345
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate
SMILESCCOC(=O)C12CCCC1(NOC)c1ccccc1C2
InChIInChI=1S/C16H21NO3/c1-3-20-14(18)15-9-6-10-16(15,17-19-2)13-8-5-4-7-12(13)11-15/h4-5,7-8,17H,3,6,9-11H2,1-2H3
InChIKeyXCSDDWIYTPJMHH-UHFFFAOYSA-N
XLogP2.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.32
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 (4bS,8aR)-4b-(methoxyamino)-6,7,8,9-tetrahydro-5H-fluorene-8a-carboxylate
CID 10379421
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
diethyl 6,8-dioxobicyclo[3.2.2]nonane-1,5-dicarboxylate
CID 2825180
methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 14546673
ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715
diethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-4-methyl-1,3-dihydronaphthalene-2,2-dicarboxylate
CID 50915872
ethyl 5-(2-methylpropylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylate
CID 61002653
ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
CID 60997641

Frequently Asked Questions

What is the IUPAC name of ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate?
The IUPAC name of ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate (CID 10880345) is ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate.
What is the SMILES notation for ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate?
The canonical SMILES for ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate is CCOC(=O)C12CCCC1(NOC)c1ccccc1C2.
What is the InChIKey of ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate?
The InChIKey is XCSDDWIYTPJMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-20-14(18)15-9-6-10-16(15,17-19-2)13-8-5-4-7-12(13)11-15/h4-5,7-8,17H,3,6,9-11H2,1-2H3.
What are the key properties of ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate?
ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8b-(methoxyamino)-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate is sourced from PubChem (CID 10880345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).