(2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one

C19H31NO2 — CID 99808068

IUPAC(2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one
SMILESCC[C@@H](OC1CCCC1)C(=O)N1CCC[C@@]2(CC=CCC2)C1
InChIInChI=1S/C19H31NO2/c1-2-17(22-16-9-4-5-10-16)18(21)20-14-8-13-19(15-20)11-6-3-7-12-19/h3,6,16-17H,2,4-5,7-15H2,1H3/t17-,19+/m1/s1
InChIKeyXXZDGZIGFCUFPB-MJGOQNOKSA-N
MW305.46 g/mol
LogP4.07
Rot. Bonds4

About (2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one

(2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one (PubChem CID 99808068) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one.

Molecular Properties

Compound Name(2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one
PubChem CID99808068
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one
SMILESCC[C@@H](OC1CCCC1)C(=O)N1CCC[C@@]2(CC=CCC2)C1
InChIInChI=1S/C19H31NO2/c1-2-17(22-16-9-4-5-10-16)18(21)20-14-8-13-19(15-20)11-6-3-7-12-19/h3,6,16-17H,2,4-5,7-15H2,1H3/t17-,19+/m1/s1
InChIKeyXXZDGZIGFCUFPB-MJGOQNOKSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one
CID 99852473
1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 102557218
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119375428
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
CID 119410162
2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
CID 86779212
1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylsulfonylpropan-1-one
CID 95627824
(2S)-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutan-1-one
CID 124721262
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391
(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 97213320
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119595319

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one?
The IUPAC name of (2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one (CID 99808068) is (2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one.
What is the SMILES notation for (2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one?
The canonical SMILES for (2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one is CC[C@@H](OC1CCCC1)C(=O)N1CCC[C@@]2(CC=CCC2)C1.
What is the InChIKey of (2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one?
The InChIKey is XXZDGZIGFCUFPB-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H31NO2/c1-2-17(22-16-9-4-5-10-16)18(21)20-14-8-13-19(15-20)11-6-3-7-12-19/h3,6,16-17H,2,4-5,7-15H2,1H3/t17-,19+/m1/s1.
What are the key properties of (2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one?
(2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one has a molecular weight of 305.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one is sourced from PubChem (CID 99808068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).