ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate

C10H13NO2 — CID 12530992

IUPACethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate
SMILESCCOC(=O)N1C=CC2(C=C1)CC2
InChIInChI=1S/C10H13NO2/c1-2-13-9(12)11-7-5-10(3-4-10)6-8-11/h5-8H,2-4H2,1H3
InChIKeyLARLCTFQWJMKAI-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.27
Rot. Bonds1

About ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate

ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate (PubChem CID 12530992) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate.

Molecular Properties

Compound Nameethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate
PubChem CID12530992
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Nameethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate
SMILESCCOC(=O)N1C=CC2(C=C1)CC2
InChIInChI=1S/C10H13NO2/c1-2-13-9(12)11-7-5-10(3-4-10)6-8-11/h5-8H,2-4H2,1H3
InChIKeyLARLCTFQWJMKAI-UHFFFAOYSA-N
XLogP2.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1(4H)-pyridinecarboxylic acid, ethyl ester
CID 643367
Ethyl 4,4-dimethylpyridine-1-carboxylate
CID 12391526
Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate
CID 276445
propyl 4H-pyridine-1-carboxylate
CID 17998218
Ethyl 4,4-diethylpyridine-1-carboxylate
CID 154423306
ethyl N-methyl-N-[(1E)-3-methylhexa-1,5-dienyl]carbamate
CID 10797991
Ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate
CID 12530988
Ethyl 4-(prop-2-en-1-yl)pyridine-1(4H)-carboxylate
CID 13427483
Ethyl 4-azabicyclo[5.1.0]octa-2,5-diene-4-carboxylate
CID 24977622
Methyl 4,4-dimethylpyridine-1-carboxylate
CID 85525352

Frequently Asked Questions

What is the IUPAC name of ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate?
The IUPAC name of ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate (CID 12530992) is ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate.
What is the SMILES notation for ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate?
The canonical SMILES for ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate is CCOC(=O)N1C=CC2(C=C1)CC2.
What is the InChIKey of ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate?
The InChIKey is LARLCTFQWJMKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-13-9(12)11-7-5-10(3-4-10)6-8-11/h5-8H,2-4H2,1H3.
What are the key properties of ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate?
ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate has a molecular weight of 179.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate is sourced from PubChem (CID 12530992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).