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

C11H18N2O — CID 97492764

IUPAC[(2S,3R)-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-/m1/s1
InChIKeyDKRWOEDPNJZVNW-MWLCHTKSSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds1

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

[(2S,3R)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97492764) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [(2S,3R)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,3R)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID97492764
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[(2S,3R)-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-/m1/s1
InChIKeyDKRWOEDPNJZVNW-MWLCHTKSSA-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

13-(Cyclopropylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118738758
13-(Cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118745551
1-(Pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octane
CID 64069528
N,N-dimethyl-5-azaspiro[2.4]heptane-1-carboxamide
CID 130683963
N-cyclopropyl-5-azaspiro[2.4]heptane-1-carboxamide
CID 131090122
[3,3'-Bipyrrolidin]-5-one hydrochloride
CID 138040370
4-(1-Methylcyclopropyl)pyrrolidin-2-one
CID 165657428
N-(2,2,3,3-tetramethylcyclopropyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 128918143
1,1-Bis-(1'-pyrrolidonyl)-athan
CID 129629639
[3,3'-Bipyrrolidin]-5-one
CID 105430115
1-[3,3-Bis(trifluoromethyl)pyrrolidin-1-yl]-3-pyrrolidin-3-ylpropan-1-one;hydrochloride
CID 120075531
1-[3,3-Bis(trifluoromethyl)pyrrolidin-1-yl]-3-pyrrolidin-3-ylpropan-1-one
CID 120075532

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S,3R)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone (CID 97492764) is [(2S,3R)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S,3R)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S,3R)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone is O=C([C@H]1C[C@@]12CCNC2)N1CCCC1.
What is the InChIKey of [(2S,3R)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DKRWOEDPNJZVNW-MWLCHTKSSA-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-/m1/s1.
What are the key properties of [(2S,3R)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone?
[(2S,3R)-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 [(2S,3R)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97492764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).