(2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

C14H24N2O2 — CID 79758887

IUPAC(2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESCC1OCCC1C(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C14H24N2O2/c1-10-11(6-9-18-10)14(17)16-8-3-5-13(16)12-4-2-7-15-12/h10-13,15H,2-9H2,1H3
InChIKeyHKYVIVTYSAZOQW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.15
Rot. Bonds2

About (2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

(2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 79758887) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
PubChem CID79758887
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESCC1OCCC1C(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C14H24N2O2/c1-10-11(6-9-18-10)14(17)16-8-3-5-13(16)12-4-2-7-15-12/h10-13,15H,2-9H2,1H3
InChIKeyHKYVIVTYSAZOQW-UHFFFAOYSA-N
XLogP1.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553
N,N-dimethyl-2-pyrrolidin-2-ylpyrrolidine-1-carboxamide
CID 79154748
1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79750460
cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256843
2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62274755
ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
CID 62273377
3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62275584
(2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274234
1-(2-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 76991018
cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 55169525
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (CID 79758887) is (2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is CC1OCCC1C(=O)N1CCCC1C1CCCN1.
What is the InChIKey of (2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is HKYVIVTYSAZOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-11(6-9-18-10)14(17)16-8-3-5-13(16)12-4-2-7-15-12/h10-13,15H,2-9H2,1H3.
What are the key properties of (2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
(2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79758887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).