1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone

C12H22N2O2 — CID 65160440

IUPAC1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone
SMILESCNCC1CCN(C(=O)CC2CCCO2)C1
InChIInChI=1S/C12H22N2O2/c1-13-8-10-4-5-14(9-10)12(15)7-11-3-2-6-16-11/h10-11,13H,2-9H2,1H3
InChIKeyUNFWYUSTYOXMMC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds4

About 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone

1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone (PubChem CID 65160440) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone
PubChem CID65160440
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone
SMILESCNCC1CCN(C(=O)CC2CCCO2)C1
InChIInChI=1S/C12H22N2O2/c1-13-8-10-4-5-14(9-10)12(15)7-11-3-2-6-16-11/h10-11,13H,2-9H2,1H3
InChIKeyUNFWYUSTYOXMMC-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methylaminomethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119260620
1-[3-(methylaminomethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62048304
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 63263865
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119260605
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119261129
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117
3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid
CID 124512411
1-(3-bromopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 80660576
ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen
CID 144853305

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone (CID 65160440) is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone is CNCC1CCN(C(=O)CC2CCCO2)C1.
What is the InChIKey of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone?
The InChIKey is UNFWYUSTYOXMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-8-10-4-5-14(9-10)12(15)7-11-3-2-6-16-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone?
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone has a molecular weight of 226.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 65160440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).