N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide

C12H19N3O2 — CID 75374671

IUPACN-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)NC(C)CC#N)N1CCCC1=O
InChIInChI=1S/C12H19N3O2/c1-3-10(15-8-4-5-11(15)16)12(17)14-9(2)6-7-13/h9-10H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyUMNXAZGSOHVTJL-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.81
Rot. Bonds5

About N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide

N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 75374671) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID75374671
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)NC(C)CC#N)N1CCCC1=O
InChIInChI=1S/C12H19N3O2/c1-3-10(15-8-4-5-11(15)16)12(17)14-9(2)6-7-13/h9-10H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyUMNXAZGSOHVTJL-UHFFFAOYSA-N
XLogP0.81
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide (CID 75374671) is N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide is CCC(C(=O)NC(C)CC#N)N1CCCC1=O.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is UMNXAZGSOHVTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-10(15-8-4-5-11(15)16)12(17)14-9(2)6-7-13/h9-10H,3-6,8H2,1-2H3,(H,14,17).
What are the key properties of N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide?
N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 237.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 75374671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).