[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone

C13H25N3O2 — CID 66265069

IUPAC[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)N1CCCC1CN(C)C
InChIInChI=1S/C13H25N3O2/c1-14-12-9-18-8-11(12)13(17)16-6-4-5-10(16)7-15(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyMXOOWOVEKNCYSI-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.23
Rot. Bonds4

About [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone

[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone (PubChem CID 66265069) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone
PubChem CID66265069
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)N1CCCC1CN(C)C
InChIInChI=1S/C13H25N3O2/c1-14-12-9-18-8-11(12)13(17)16-6-4-5-10(16)7-15(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyMXOOWOVEKNCYSI-UHFFFAOYSA-N
XLogP-0.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 66267016
methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate
CID 66266602
[4-(methylamino)oxolan-3-yl]-(2-methylazepan-1-yl)methanone
CID 66266661
(3-ethylmorpholin-4-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66266572
(2-ethylpyrrolidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66255960
(2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 64824655
(4-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267148
(3-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267351
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
[4-(propylamino)oxolan-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83052187
2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide
CID 62887688
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone?
The IUPAC name of [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone (CID 66265069) is [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone is CNC1COCC1C(=O)N1CCCC1CN(C)C.
What is the InChIKey of [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone?
The InChIKey is MXOOWOVEKNCYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-14-12-9-18-8-11(12)13(17)16-6-4-5-10(16)7-15(2)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone?
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone has a molecular weight of 255.36 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 66265069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).