1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone

C10H18N2O2 — CID 62327566

IUPAC1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone
SMILESO=C(COC1CCNC1)N1CCCC1
InChIInChI=1S/C10H18N2O2/c13-10(12-5-1-2-6-12)8-14-9-3-4-11-7-9/h9,11H,1-8H2
InChIKeyHQQCLMIYHYQZIJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.01
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone

1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone (PubChem CID 62327566) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone
PubChem CID62327566
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone
SMILESO=C(COC1CCNC1)N1CCCC1
InChIInChI=1S/C10H18N2O2/c13-10(12-5-1-2-6-12)8-14-9-3-4-11-7-9/h9,11H,1-8H2
InChIKeyHQQCLMIYHYQZIJ-UHFFFAOYSA-N
XLogP-0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride
CID 119669536
1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone
CID 84816570
2-[(3S)-pyrrolidin-3-yl]oxyacetamide
CID 94401198
2-cyclopentyloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119402733
2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid
CID 63876242
pyrrolidin-3-yl piperidine-1-carboxylate
CID 79337599
1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251949
2-(azetidin-3-yloxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 63107383
1-(3,5-dimethylpiperidin-1-yl)-2-piperidin-4-yloxyethanone
CID 63875663
N-ethyl-4-(2-piperidin-4-yloxyacetyl)piperazine-1-carboxamide
CID 63876904
methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
CID 34180571
2-(piperidin-4-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 39062936

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone (CID 62327566) is 1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone is O=C(COC1CCNC1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone?
The InChIKey is HQQCLMIYHYQZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(12-5-1-2-6-12)8-14-9-3-4-11-7-9/h9,11H,1-8H2.
What are the key properties of 1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone?
1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone has a molecular weight of 198.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone is sourced from PubChem (CID 62327566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).