[(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone

C11H18N2O — CID 97492765

IUPAC[(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1C[C@]12CCNC2)N1CCCC1
InChIInChI=1S/C11H18N2O/c14-10(13-5-1-2-6-13)9-7-11(9)3-4-12-8-11/h9,12H,1-8H2/t9-,11-/m0/s1
InChIKeyDKRWOEDPNJZVNW-ONGXEEELSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds1

About [(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone

[(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97492765) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID97492765
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1C[C@]12CCNC2)N1CCCC1
InChIInChI=1S/C11H18N2O/c14-10(13-5-1-2-6-13)9-7-11(9)3-4-12-8-11/h9,12H,1-8H2/t9-,11-/m0/s1
InChIKeyDKRWOEDPNJZVNW-ONGXEEELSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-azaspiro[2.4]heptan-2-yl(pyrrolidin-1-yl)methanone
CID 131208946
5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone
CID 138039435
5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane
CID 166116859
6-azaspiro[2.5]octan-2-yl-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103872611
[6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120905036
1-(6-azaspiro[2.5]octane-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597374
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409039
6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355935
6-azaspiro[2.5]octan-2-yl-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696224
6-azaspiro[2.5]octan-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958673
5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride
CID 122163372

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone (CID 97492765) is [(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1C[C@]12CCNC2)N1CCCC1.
What is the InChIKey of [(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DKRWOEDPNJZVNW-ONGXEEELSA-N. The full InChI is InChI=1S/C11H18N2O/c14-10(13-5-1-2-6-13)9-7-11(9)3-4-12-8-11/h9,12H,1-8H2/t9-,11-/m0/s1.
What are the key properties of [(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone?
[(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 194.28 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97492765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).