N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide

C10H18N2O — CID 22886648

IUPACN-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCC(C)=C1C
InChIInChI=1S/C10H18N2O/c1-8-4-6-12(9(8)2)7-5-11-10(3)13/h4-7H2,1-3H3,(H,11,13)
InChIKeyQZBDRZRVOOEAQV-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.12
Rot. Bonds3

About N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide

N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide (PubChem CID 22886648) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide
PubChem CID22886648
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCC(C)=C1C
InChIInChI=1S/C10H18N2O/c1-8-4-6-12(9(8)2)7-5-11-10(3)13/h4-7H2,1-3H3,(H,11,13)
InChIKeyQZBDRZRVOOEAQV-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide (CID 22886648) is N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide is CC(=O)NCCN1CCC(C)=C1C.
What is the InChIKey of N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide?
The InChIKey is QZBDRZRVOOEAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-4-6-12(9(8)2)7-5-11-10(3)13/h4-7H2,1-3H3,(H,11,13).
What are the key properties of N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide?
N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide has a molecular weight of 182.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-2,3-dihydropyrrol-1-yl)ethyl]acetamide is sourced from PubChem (CID 22886648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).