N'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide

C12H21N3O2 — CID 3156687

IUPACN'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
SMILESCCN1CCCC1CNC(=O)C(=O)NC1CC1
InChIInChI=1S/C12H21N3O2/c1-2-15-7-3-4-10(15)8-13-11(16)12(17)14-9-5-6-9/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyXTGAUKZUFPICIW-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.13
Rot. Bonds4

About N'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide

N'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide (PubChem CID 3156687) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
PubChem CID3156687
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
SMILESCCN1CCCC1CNC(=O)C(=O)NC1CC1
InChIInChI=1S/C12H21N3O2/c1-2-15-7-3-4-10(15)8-13-11(16)12(17)14-9-5-6-9/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyXTGAUKZUFPICIW-UHFFFAOYSA-N
XLogP-0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide (CID 3156687) is N'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide is CCN1CCCC1CNC(=O)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The InChIKey is XTGAUKZUFPICIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-15-7-3-4-10(15)8-13-11(16)12(17)14-9-5-6-9/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
N'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide has a molecular weight of 239.32 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide is sourced from PubChem (CID 3156687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).