1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone

C8H13NO — CID 23566460

IUPAC1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone
SMILESCC(=O)N1C(C)C=CC1C
InChIInChI=1S/C8H13NO/c1-6-4-5-7(2)9(6)8(3)10/h4-7H,1-3H3
InChIKeyWAZNJGNPEXBHCB-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds

About 1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone

1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone (PubChem CID 23566460) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone
PubChem CID23566460
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone
SMILESCC(=O)N1C(C)C=CC1C
InChIInChI=1S/C8H13NO/c1-6-4-5-7(2)9(6)8(3)10/h4-7H,1-3H3
InChIKeyWAZNJGNPEXBHCB-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

Acetamide, N-(1-methylethyl)-N-2-propenyl-
CID 77447
1-(3,6-Dihydropyridin-1(2h)-yl)ethanone
CID 279717
1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 3980505
Pentenoic acid diethylamide
CID 53924574
N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]pent-2-enyl]-N-prop-2-enylprop-2-enamide
CID 132162185
(8aS)-6,8a-dihydro-3H-indolizin-5-one
CID 10855504
N-cyclopent-3-en-1-yl-N-prop-2-enylprop-2-enamide
CID 85814668
N-butyl-5-methyl-1h-pyrrol-2(5h)-one
CID 132471617
N-[(E,2S)-hex-3-en-2-yl]acetamide
CID 134947978
(2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one
CID 135077533
2,2,2-trifluoro-N-[(2E,5E)-hepta-2,5-dien-4-yl]-N-prop-2-enylacetamide
CID 101720970
2,2,2-trifluoro-1-[(2R)-2-[(E)-prop-1-enyl]-2,5-dihydropyrrol-1-yl]ethanone
CID 101720971

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone?
The IUPAC name of 1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone (CID 23566460) is 1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone is CC(=O)N1C(C)C=CC1C.
What is the InChIKey of 1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone?
The InChIKey is WAZNJGNPEXBHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-5-7(2)9(6)8(3)10/h4-7H,1-3H3.
What are the key properties of 1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone?
1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone has a molecular weight of 139.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)ethanone is sourced from PubChem (CID 23566460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).