1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone

C11H20N2O2 — CID 103533035

IUPAC1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone
SMILESCOC1CCN(C(=O)CC2CCNC2)C1
InChIInChI=1S/C11H20N2O2/c1-15-10-3-5-13(8-10)11(14)6-9-2-4-12-7-9/h9-10,12H,2-8H2,1H3
InChIKeyMMVYZWIROVUVMS-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds3

About 1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone

1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone (PubChem CID 103533035) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone
PubChem CID103533035
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone
SMILESCOC1CCN(C(=O)CC2CCNC2)C1
InChIInChI=1S/C11H20N2O2/c1-15-10-3-5-13(8-10)11(14)6-9-2-4-12-7-9/h9-10,12H,2-8H2,1H3
InChIKeyMMVYZWIROVUVMS-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone
CID 103532971
1-(4-methoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62690713
2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
CID 119791443
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
methyl 1-(2-piperidin-3-ylacetyl)piperidine-4-carboxylate
CID 62674333
1-(4-ethoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62691409
1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
CID 103533267
2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
CID 64611824
1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
CID 83628524
methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
CID 64617361
1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 107392439

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone (CID 103533035) is 1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone is COC1CCN(C(=O)CC2CCNC2)C1.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone?
The InChIKey is MMVYZWIROVUVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-10-3-5-13(8-10)11(14)6-9-2-4-12-7-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone?
1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone has a molecular weight of 212.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 103533035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).