ethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one

C9H20N2O — CID 169259580

IUPACethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one
SMILESCC.CNCC1(C)CCNC1=O
InChIInChI=1S/C7H14N2O.C2H6/c1-7(5-8-2)3-4-9-6(7)10;1-2/h8H,3-5H2,1-2H3,(H,9,10);1-2H3
InChIKeyYGBUNNFAZYXNFY-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.76
Rot. Bonds2

About ethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one

ethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one (PubChem CID 169259580) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one
PubChem CID169259580
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one
SMILESCC.CNCC1(C)CCNC1=O
InChIInChI=1S/C7H14N2O.C2H6/c1-7(5-8-2)3-4-9-6(7)10;1-2/h8H,3-5H2,1-2H3,(H,9,10);1-2H3
InChIKeyYGBUNNFAZYXNFY-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one?
The IUPAC name of ethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one (CID 169259580) is ethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one.
What is the SMILES notation for ethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one?
The canonical SMILES for ethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one is CC.CNCC1(C)CCNC1=O.
What is the InChIKey of ethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one?
The InChIKey is YGBUNNFAZYXNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-7(5-8-2)3-4-9-6(7)10;1-2/h8H,3-5H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of ethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one?
ethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one has a molecular weight of 172.27 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3-(methylaminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 169259580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).