5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one

C12H23N3O — CID 107529275

IUPAC5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1)NCC1CCC(=O)N1
InChIInChI=1S/C12H23N3O/c1-10(9-15-6-2-3-7-15)13-8-11-4-5-12(16)14-11/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyKZVBMLVXNJNBHF-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.34
Rot. Bonds5

About 5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one

5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one (PubChem CID 107529275) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one
PubChem CID107529275
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1)NCC1CCC(=O)N1
InChIInChI=1S/C12H23N3O/c1-10(9-15-6-2-3-7-15)13-8-11-4-5-12(16)14-11/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyKZVBMLVXNJNBHF-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one
CID 107529971
N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61223586
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 56701957
methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate
CID 105357507
5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 103902361
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107001489
5-[(2-cyclopropylpropylamino)methyl]pyrrolidin-2-one
CID 107529963
5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529310
5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 103902371
5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726637
5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one
CID 107529754

Frequently Asked Questions

What is the IUPAC name of 5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one (CID 107529275) is 5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one is CC(CN1CCCC1)NCC1CCC(=O)N1.
What is the InChIKey of 5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one?
The InChIKey is KZVBMLVXNJNBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(9-15-6-2-3-7-15)13-8-11-4-5-12(16)14-11/h10-11,13H,2-9H2,1H3,(H,14,16).
What are the key properties of 5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one?
5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 107529275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).