N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide

C14H22N2O2 — CID 59169471

IUPACN-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide
SMILESC=CC1CC1(NC(=O)C1CC(C)CN1C)C(C)=O
InChIInChI=1S/C14H22N2O2/c1-5-11-7-14(11,10(3)17)15-13(18)12-6-9(2)8-16(12)4/h5,9,11-12H,1,6-8H2,2-4H3,(H,15,18)
InChIKeyCINVSHNBSPJXGV-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.98
Rot. Bonds4

About N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide

N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide (PubChem CID 59169471) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide
PubChem CID59169471
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide
SMILESC=CC1CC1(NC(=O)C1CC(C)CN1C)C(C)=O
InChIInChI=1S/C14H22N2O2/c1-5-11-7-14(11,10(3)17)15-13(18)12-6-9(2)8-16(12)4/h5,9,11-12H,1,6-8H2,2-4H3,(H,15,18)
InChIKeyCINVSHNBSPJXGV-UHFFFAOYSA-N
XLogP0.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide (CID 59169471) is N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide is C=CC1CC1(NC(=O)C1CC(C)CN1C)C(C)=O.
What is the InChIKey of N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide?
The InChIKey is CINVSHNBSPJXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-11-7-14(11,10(3)17)15-13(18)12-6-9(2)8-16(12)4/h5,9,11-12H,1,6-8H2,2-4H3,(H,15,18).
What are the key properties of N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide?
N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2-ethenylcyclopropyl)-1,4-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59169471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).