1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide

C9H14N2O2 — CID 118454245

IUPAC1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC1C(=O)N(C2CC2)CC1C(N)=O
InChIInChI=1S/C9H14N2O2/c1-5-7(8(10)12)4-11(9(5)13)6-2-3-6/h5-7H,2-4H2,1H3,(H2,10,12)
InChIKeyKODJSKGVOBHZJU-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.27
Rot. Bonds2

About 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 118454245) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID118454245
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC1C(=O)N(C2CC2)CC1C(N)=O
InChIInChI=1S/C9H14N2O2/c1-5-7(8(10)12)4-11(9(5)13)6-2-3-6/h5-7H,2-4H2,1H3,(H2,10,12)
InChIKeyKODJSKGVOBHZJU-UHFFFAOYSA-N
XLogP-0.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide (CID 118454245) is 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide is CC1C(=O)N(C2CC2)CC1C(N)=O.
What is the InChIKey of 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KODJSKGVOBHZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-7(8(10)12)4-11(9(5)13)6-2-3-6/h5-7H,2-4H2,1H3,(H2,10,12).
What are the key properties of 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 118454245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).