(3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone

C12H22N2O — CID 164785278

IUPAC(3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
SMILESCC(C)(C)C1CN(C(=O)[C@H]2CCNC2)C1
InChIInChI=1S/C12H22N2O/c1-12(2,3)10-7-14(8-10)11(15)9-4-5-13-6-9/h9-10,13H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyHWSSXZPUOFFVLI-VIFPVBQESA-N
MW210.32 g/mol
LogP1.10
Rot. Bonds1

About (3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone

(3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone (PubChem CID 164785278) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
PubChem CID164785278
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
SMILESCC(C)(C)C1CN(C(=O)[C@H]2CCNC2)C1
InChIInChI=1S/C12H22N2O/c1-12(2,3)10-7-14(8-10)11(15)9-4-5-13-6-9/h9-10,13H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyHWSSXZPUOFFVLI-VIFPVBQESA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119787780
(3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103533146
pyrrolidin-3-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 121201194
(3aS,6aR)-5-[(3R)-pyrrolidine-3-carbonyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129354111
(2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119669803
[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94916279
(4-tert-butylpiperidin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119311368
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 115740808
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
The IUPAC name of (3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone (CID 164785278) is (3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for (3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
The canonical SMILES for (3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone is CC(C)(C)C1CN(C(=O)[C@H]2CCNC2)C1.
What is the InChIKey of (3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
The InChIKey is HWSSXZPUOFFVLI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)10-7-14(8-10)11(15)9-4-5-13-6-9/h9-10,13H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone?
(3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone has a molecular weight of 210.32 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 164785278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).