3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one

C10H21N3O — CID 176958856

IUPAC3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
SMILESCNC(CC1CCNC1=O)NC(C)C
InChIInChI=1S/C10H21N3O/c1-7(2)13-9(11-3)6-8-4-5-12-10(8)14/h7-9,11,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyCYUGDMIOSBZXRW-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.06
Rot. Bonds5

About 3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one

3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one (PubChem CID 176958856) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
PubChem CID176958856
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
SMILESCNC(CC1CCNC1=O)NC(C)C
InChIInChI=1S/C10H21N3O/c1-7(2)13-9(11-3)6-8-4-5-12-10(8)14/h7-9,11,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyCYUGDMIOSBZXRW-UHFFFAOYSA-N
XLogP0.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one
CID 58593524
3-[2-(oxidoamino)propyl]pyrrolidin-2-one
CID 176958706
(3R)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one
CID 170365434
(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one
CID 163537974
(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride
CID 134306097
3-[(4-chlorophenyl)methyl]pyrrolidin-2-one;N-propan-2-ylpropan-2-amine
CID 160505997
(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one
CID 170008578
(3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one
CID 162695973
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol
CID 171843230
N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 167455793

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one (CID 176958856) is 3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one is CNC(CC1CCNC1=O)NC(C)C.
What is the InChIKey of 3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one?
The InChIKey is CYUGDMIOSBZXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(2)13-9(11-3)6-8-4-5-12-10(8)14/h7-9,11,13H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one?
3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one has a molecular weight of 199.30 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 176958856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).