4-amino-1-methylpyrrolidin-2-one;ethane

C9H22N2O — CID 145355415

IUPAC4-amino-1-methylpyrrolidin-2-one;ethane
SMILESCC.CC.CN1CC(N)CC1=O
InChIInChI=1S/C5H10N2O.2C2H6/c1-7-3-4(6)2-5(7)8;2*1-2/h4H,2-3,6H2,1H3;2*1-2H3
InChIKeyZRTKHHHJWLTWJY-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.23
Rot. Bonds

About 4-amino-1-methylpyrrolidin-2-one;ethane

4-amino-1-methylpyrrolidin-2-one;ethane (PubChem CID 145355415) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 4-amino-1-methylpyrrolidin-2-one;ethane.

Molecular Properties

Compound Name4-amino-1-methylpyrrolidin-2-one;ethane
PubChem CID145355415
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name4-amino-1-methylpyrrolidin-2-one;ethane
SMILESCC.CC.CN1CC(N)CC1=O
InChIInChI=1S/C5H10N2O.2C2H6/c1-7-3-4(6)2-5(7)8;2*1-2/h4H,2-3,6H2,1H3;2*1-2H3
InChIKeyZRTKHHHJWLTWJY-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrrolidin-2-one;ethane?
The IUPAC name of 4-amino-1-methylpyrrolidin-2-one;ethane (CID 145355415) is 4-amino-1-methylpyrrolidin-2-one;ethane.
What is the SMILES notation for 4-amino-1-methylpyrrolidin-2-one;ethane?
The canonical SMILES for 4-amino-1-methylpyrrolidin-2-one;ethane is CC.CC.CN1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-methylpyrrolidin-2-one;ethane?
The InChIKey is ZRTKHHHJWLTWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.2C2H6/c1-7-3-4(6)2-5(7)8;2*1-2/h4H,2-3,6H2,1H3;2*1-2H3.
What are the key properties of 4-amino-1-methylpyrrolidin-2-one;ethane?
4-amino-1-methylpyrrolidin-2-one;ethane has a molecular weight of 174.29 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrrolidin-2-one;ethane is sourced from PubChem (CID 145355415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).