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

C11H20N2O2 — CID 103575749

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone
SMILESCC1CN(C(=O)C2OCCC2C)CC1N
InChIInChI=1S/C11H20N2O2/c1-7-3-4-15-10(7)11(14)13-5-8(2)9(12)6-13/h7-10H,3-6,12H2,1-2H3
InChIKeyKNCAPVAPXIDBCZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.22
Rot. Bonds1

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

(3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone (PubChem CID 103575749) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone
PubChem CID103575749
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone
SMILESCC1CN(C(=O)C2OCCC2C)CC1N
InChIInChI=1S/C11H20N2O2/c1-7-3-4-15-10(7)11(14)13-5-8(2)9(12)6-13/h7-10H,3-6,12H2,1-2H3
InChIKeyKNCAPVAPXIDBCZ-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone (CID 103575749) is (3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone is CC1CN(C(=O)C2OCCC2C)CC1N.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone?
The InChIKey is KNCAPVAPXIDBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7-3-4-15-10(7)11(14)13-5-8(2)9(12)6-13/h7-10H,3-6,12H2,1-2H3.
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.22, 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)-(3-methyloxolan-2-yl)methanone is sourced from PubChem (CID 103575749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).