1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

C9H16N2O3 — CID 17218601

IUPAC1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(N)=O)CC1=O
InChIInChI=1S/C9H16N2O3/c1-14-4-2-3-11-6-7(9(10)13)5-8(11)12/h7H,2-6H2,1H3,(H2,10,13)
InChIKeySQNYJZLEICGPAN-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.64
Rot. Bonds5

About 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17218601) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17218601
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(N)=O)CC1=O
InChIInChI=1S/C9H16N2O3/c1-14-4-2-3-11-6-7(9(10)13)5-8(11)12/h7H,2-6H2,1H3,(H2,10,13)
InChIKeySQNYJZLEICGPAN-UHFFFAOYSA-N
XLogP-0.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-5-oxopyrrolidine-3-carboxamide
CID 541476
1-cyclopentyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 3236833
N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3245780
1-cyclopentyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 3238541
N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
N-tert-butyl-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 53501666
1-Ethyl-5-oxopyrrolidine-3-carboxamide
CID 574438
4-(Aminomethyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45791025
N-tert-butyl-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 53501416
1-ethyl-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 53501629
N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 145205
N-3-methoxypropyl-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide
CID 4247765

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 17218601) is 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is COCCCN1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SQNYJZLEICGPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-14-4-2-3-11-6-7(9(10)13)5-8(11)12/h7H,2-6H2,1H3,(H2,10,13).
What are the key properties of 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17218601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).