N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide

C11H14N2O2 — CID 66407484

IUPACN-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1ccc(C=O)c1)C1CC1
InChIInChI=1S/C11H14N2O2/c1-12(10-2-3-10)11(15)7-13-5-4-9(6-13)8-14/h4-6,8,10H,2-3,7H2,1H3
InChIKeyLKODEXPZLAYYEN-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.92
Rot. Bonds4

About N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide

N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide (PubChem CID 66407484) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide
PubChem CID66407484
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1ccc(C=O)c1)C1CC1
InChIInChI=1S/C11H14N2O2/c1-12(10-2-3-10)11(15)7-13-5-4-9(6-13)8-14/h4-6,8,10H,2-3,7H2,1H3
InChIKeyLKODEXPZLAYYEN-UHFFFAOYSA-N
XLogP0.92
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide (CID 66407484) is N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide is CN(C(=O)Cn1ccc(C=O)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide?
The InChIKey is LKODEXPZLAYYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-12(10-2-3-10)11(15)7-13-5-4-9(6-13)8-14/h4-6,8,10H,2-3,7H2,1H3.
What are the key properties of N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide?
N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide has a molecular weight of 206.24 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-formylpyrrol-1-yl)-N-methylacetamide is sourced from PubChem (CID 66407484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).