1-(4-amino-1-methylpyrrolidin-2-yl)ethanone

C7H14N2O — CID 20578945

IUPAC1-(4-amino-1-methylpyrrolidin-2-yl)ethanone
SMILESCC(=O)C1CC(N)CN1C
InChIInChI=1S/C7H14N2O/c1-5(10)7-3-6(8)4-9(7)2/h6-7H,3-4,8H2,1-2H3
InChIKeySMQDBPCEYJSYEL-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.39
Rot. Bonds1

About 1-(4-amino-1-methylpyrrolidin-2-yl)ethanone

1-(4-amino-1-methylpyrrolidin-2-yl)ethanone (PubChem CID 20578945) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(4-amino-1-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-1-methylpyrrolidin-2-yl)ethanone
PubChem CID20578945
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(4-amino-1-methylpyrrolidin-2-yl)ethanone
SMILESCC(=O)C1CC(N)CN1C
InChIInChI=1S/C7H14N2O/c1-5(10)7-3-6(8)4-9(7)2/h6-7H,3-4,8H2,1-2H3
InChIKeySMQDBPCEYJSYEL-UHFFFAOYSA-N
XLogP-0.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 1-(4-amino-1-methylpyrrolidin-2-yl)ethanone (CID 20578945) is 1-(4-amino-1-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-amino-1-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 1-(4-amino-1-methylpyrrolidin-2-yl)ethanone is CC(=O)C1CC(N)CN1C.
What is the InChIKey of 1-(4-amino-1-methylpyrrolidin-2-yl)ethanone?
The InChIKey is SMQDBPCEYJSYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(10)7-3-6(8)4-9(7)2/h6-7H,3-4,8H2,1-2H3.
What are the key properties of 1-(4-amino-1-methylpyrrolidin-2-yl)ethanone?
1-(4-amino-1-methylpyrrolidin-2-yl)ethanone has a molecular weight of 142.20 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 20578945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).