[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

C10H18N2O — CID 59401908

IUPAC[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESC[C@H]1CCCN1C(=O)[C@H]1CCNC1
InChIInChI=1S/C10H18N2O/c1-8-3-2-6-12(8)10(13)9-4-5-11-7-9/h8-9,11H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyGHFOTNYLNXHCAR-IUCAKERBSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds1

About [(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (PubChem CID 59401908) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is [(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
PubChem CID59401908
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESC[C@H]1CCCN1C(=O)[C@H]1CCNC1
InChIInChI=1S/C10H18N2O/c1-8-3-2-6-12(8)10(13)9-4-5-11-7-9/h8-9,11H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyGHFOTNYLNXHCAR-IUCAKERBSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-pyrrolidin-3-ylmethanone
CID 79937868
(3-methyl-2-propylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119809617
(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81139161
(3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 94916502
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 130877423
[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63005263
[2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 121201544
[2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119802221
[(2R)-2-(methoxymethyl)piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 129359593
(2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020224
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The IUPAC name of [(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (CID 59401908) is [(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is C[C@H]1CCCN1C(=O)[C@H]1CCNC1.
What is the InChIKey of [(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The InChIKey is GHFOTNYLNXHCAR-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-3-2-6-12(8)10(13)9-4-5-11-7-9/h8-9,11H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of [(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone has a molecular weight of 182.27 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)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 59401908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).