6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C15H21NO3 — CID 119174433

IUPAC6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CC=CCC1)CC2
InChIInChI=1S/C15H21NO3/c17-13(11-4-2-1-3-5-11)16-8-6-15(7-9-16)10-12(15)14(18)19/h1-2,11-12H,3-10H2,(H,18,19)
InChIKeyRFZMSIXYXFNUBR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.06
Rot. Bonds2

About 6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119174433) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119174433
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CC=CCC1)CC2
InChIInChI=1S/C15H21NO3/c17-13(11-4-2-1-3-5-11)16-8-6-15(7-9-16)10-12(15)14(18)19/h1-2,11-12H,3-10H2,(H,18,19)
InChIKeyRFZMSIXYXFNUBR-UHFFFAOYSA-N
XLogP2.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465913
6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514848
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 43556220
6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514750
1-[(1R)-cyclohex-3-ene-1-carbonyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 95888744
[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[(1S)-cyclohex-3-en-1-yl]methanone
CID 95770969
[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 94797927
1-(cyclohex-3-ene-1-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70781523
cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
4-(3-tert-butylpyrazol-1-yl)-1-(cyclohex-3-ene-1-carbonyl)piperidine-4-carboxylic acid
CID 56912077

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119174433) is 6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)C1CC=CCC1)CC2.
What is the InChIKey of 6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is RFZMSIXYXFNUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-13(11-4-2-1-3-5-11)16-8-6-15(7-9-16)10-12(15)14(18)19/h1-2,11-12H,3-10H2,(H,18,19).
What are the key properties of 6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119174433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).