[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone

C12H23N3O2 — CID 81465071

IUPAC[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone
SMILESCC1CN(C(=O)C2CNCCO2)CC1N(C)C
InChIInChI=1S/C12H23N3O2/c1-9-7-15(8-10(9)14(2)3)12(16)11-6-13-4-5-17-11/h9-11,13H,4-8H2,1-3H3
InChIKeyUDDRUOQJFCUBJM-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.62
Rot. Bonds2

About [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone (PubChem CID 81465071) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone
PubChem CID81465071
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone
SMILESCC1CN(C(=O)C2CNCCO2)CC1N(C)C
InChIInChI=1S/C12H23N3O2/c1-9-7-15(8-10(9)14(2)3)12(16)11-6-13-4-5-17-11/h9-11,13H,4-8H2,1-3H3
InChIKeyUDDRUOQJFCUBJM-UHFFFAOYSA-N
XLogP-0.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone (CID 81465071) is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone is CC1CN(C(=O)C2CNCCO2)CC1N(C)C.
What is the InChIKey of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is UDDRUOQJFCUBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9-7-15(8-10(9)14(2)3)12(16)11-6-13-4-5-17-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone?
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 241.33 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 81465071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).