(3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone

C11H20N2O2 — CID 103575844

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCCO2)CC1N
InChIInChI=1S/C11H20N2O2/c1-8-6-13(7-9(8)12)11(14)10-4-2-3-5-15-10/h8-10H,2-7,12H2,1H3
InChIKeyBABJFIMDLIFCAX-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.36
Rot. Bonds1

About (3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone

(3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone (PubChem CID 103575844) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone
PubChem CID103575844
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCCO2)CC1N
InChIInChI=1S/C11H20N2O2/c1-8-6-13(7-9(8)12)11(14)10-4-2-3-5-15-10/h8-10H,2-7,12H2,1H3
InChIKeyBABJFIMDLIFCAX-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(oxolan-2-yl)methanone;hydrochloride
CID 119260927
(3,4-dihydroxypyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 106671015
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 79403349
(3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 103575749
(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 104856276
(3,5-dimethylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 63863884
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
[(3R)-3-aminopyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94339947
(3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 103575804

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone (CID 103575844) is (3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone is CC1CN(C(=O)C2CCCCO2)CC1N.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone?
The InChIKey is BABJFIMDLIFCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-6-13(7-9(8)12)11(14)10-4-2-3-5-15-10/h8-10H,2-7,12H2,1H3.
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone is sourced from PubChem (CID 103575844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).