4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one

C10H19N3O — CID 130871238

IUPAC4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one
SMILESCC1CN(CC2CNC(=O)C2)CC1N
InChIInChI=1S/C10H19N3O/c1-7-4-13(6-9(7)11)5-8-2-10(14)12-3-8/h7-9H,2-6,11H2,1H3,(H,12,14)
InChIKeyYMRCRINIZSNTQQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.60
Rot. Bonds2

About 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one

4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 130871238) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one
PubChem CID130871238
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one
SMILESCC1CN(CC2CNC(=O)C2)CC1N
InChIInChI=1S/C10H19N3O/c1-7-4-13(6-9(7)11)5-8-2-10(14)12-3-8/h7-9H,2-6,11H2,1H3,(H,12,14)
InChIKeyYMRCRINIZSNTQQ-UHFFFAOYSA-N
XLogP-0.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one (CID 130871238) is 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one is CC1CN(CC2CNC(=O)C2)CC1N.
What is the InChIKey of 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is YMRCRINIZSNTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7-4-13(6-9(7)11)5-8-2-10(14)12-3-8/h7-9H,2-6,11H2,1H3,(H,12,14).
What are the key properties of 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one?
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 130871238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).