3-[2-(oxidoamino)propyl]pyrrolidin-2-one

C7H13N2O2- — CID 176958706

IUPAC3-[2-(oxidoamino)propyl]pyrrolidin-2-one
SMILESCC(CC1CCNC1=O)N[O-]
InChIInChI=1S/C7H13N2O2/c1-5(9-11)4-6-2-3-8-7(6)10/h5-6,9H,2-4H2,1H3,(H,8,10)/q-1
InChIKeyKSMSSKYPJGZJTR-UHFFFAOYSA-N
MW157.19 g/mol
LogP-0.01
Rot. Bonds3

About 3-[2-(oxidoamino)propyl]pyrrolidin-2-one

3-[2-(oxidoamino)propyl]pyrrolidin-2-one (PubChem CID 176958706) has the molecular formula C7H13N2O2- and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-[2-(oxidoamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(oxidoamino)propyl]pyrrolidin-2-one
PubChem CID176958706
Molecular FormulaC7H13N2O2-
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name3-[2-(oxidoamino)propyl]pyrrolidin-2-one
SMILESCC(CC1CCNC1=O)N[O-]
InChIInChI=1S/C7H13N2O2/c1-5(9-11)4-6-2-3-8-7(6)10/h5-6,9H,2-4H2,1H3,(H,8,10)/q-1
InChIKeyKSMSSKYPJGZJTR-UHFFFAOYSA-N
XLogP-0.01
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one
CID 170365434
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one
CID 163537974
3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
CID 176958856
3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one
CID 58593524
N-[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 167455793
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
CID 130843908
S-[(2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propyl] ethanethioate
CID 163751383
potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one
CID 176958705
(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one
CID 170008578
(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride
CID 134306097
3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol
CID 171843230

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxidoamino)propyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-(oxidoamino)propyl]pyrrolidin-2-one (CID 176958706) is 3-[2-(oxidoamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(oxidoamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-(oxidoamino)propyl]pyrrolidin-2-one is CC(CC1CCNC1=O)N[O-].
What is the InChIKey of 3-[2-(oxidoamino)propyl]pyrrolidin-2-one?
The InChIKey is KSMSSKYPJGZJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2O2/c1-5(9-11)4-6-2-3-8-7(6)10/h5-6,9H,2-4H2,1H3,(H,8,10)/q-1.
What are the key properties of 3-[2-(oxidoamino)propyl]pyrrolidin-2-one?
3-[2-(oxidoamino)propyl]pyrrolidin-2-one has a molecular weight of 157.19 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxidoamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 176958706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).