pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone

C13H24N2O4 — CID 3095254

IUPACpyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone
SMILESO=C(C1CCCN1)N1CCOCCOCCOCC1
InChIInChI=1S/C13H24N2O4/c16-13(12-2-1-3-14-12)15-4-6-17-8-10-19-11-9-18-7-5-15/h12,14H,1-11H2
InChIKeyQVPLGYMYBOLTPM-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.37
Rot. Bonds1

About pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone

pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone (PubChem CID 3095254) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone
PubChem CID3095254
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namepyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone
SMILESO=C(C1CCCN1)N1CCOCCOCCOCC1
InChIInChI=1S/C13H24N2O4/c16-13(12-2-1-3-14-12)15-4-6-17-8-10-19-11-9-18-7-5-15/h12,14H,1-11H2
InChIKeyQVPLGYMYBOLTPM-UHFFFAOYSA-N
XLogP-0.37
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 7175775
morpholin-4-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 178201427
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
morpholin-4-yl-[1-(piperidine-2-carbonyl)piperidin-3-yl]methanone
CID 119277055
1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877474
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 7175999
2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone
CID 129497245
(4-aminopiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 131224010
1,2,5-dithiazepan-5-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 131153732
(4-aminopiperidin-1-yl)-pyrrolidin-2-ylmethanone
CID 110461351
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone?
The IUPAC name of pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone (CID 3095254) is pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone.
What is the SMILES notation for pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone?
The canonical SMILES for pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone is O=C(C1CCCN1)N1CCOCCOCCOCC1.
What is the InChIKey of pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone?
The InChIKey is QVPLGYMYBOLTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c16-13(12-2-1-3-14-12)15-4-6-17-8-10-19-11-9-18-7-5-15/h12,14H,1-11H2.
What are the key properties of pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone?
pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone has a molecular weight of 272.34 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone is sourced from PubChem (CID 3095254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).