5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one

C11H21N3O — CID 107529437

IUPAC5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one
SMILESCN(CCNCC1CCC(=O)N1)C1CC1
InChIInChI=1S/C11H21N3O/c1-14(10-3-4-10)7-6-12-8-9-2-5-11(15)13-9/h9-10,12H,2-8H2,1H3,(H,13,15)
InChIKeyJILBFTLGTHCHGW-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.05
Rot. Bonds6

About 5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one

5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one (PubChem CID 107529437) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one
PubChem CID107529437
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one
SMILESCN(CCNCC1CCC(=O)N1)C1CC1
InChIInChI=1S/C11H21N3O/c1-14(10-3-4-10)7-6-12-8-9-2-5-11(15)13-9/h9-10,12H,2-8H2,1H3,(H,13,15)
InChIKeyJILBFTLGTHCHGW-UHFFFAOYSA-N
XLogP-0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
CID 60726501
1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea
CID 107529858
5-[(hexylamino)methyl]pyrrolidin-2-one
CID 60727785
5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one
CID 104807003
3-[(5-oxopyrrolidin-2-yl)methylamino]propanenitrile
CID 60727673
(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
CID 166066315
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one
CID 60727737
5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one
CID 107530049
2,2-dimethyl-4-[(5-oxopyrrolidin-2-yl)methylamino]butanenitrile
CID 65253327
5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727360
5-[(2-cyclopropylpropylamino)methyl]pyrrolidin-2-one
CID 107529963

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one (CID 107529437) is 5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one is CN(CCNCC1CCC(=O)N1)C1CC1.
What is the InChIKey of 5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one?
The InChIKey is JILBFTLGTHCHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14(10-3-4-10)7-6-12-8-9-2-5-11(15)13-9/h9-10,12H,2-8H2,1H3,(H,13,15).
What are the key properties of 5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one?
5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one has a molecular weight of 211.31 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107529437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).