1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene

C10H17NO — CID 143095314

IUPAC1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene
SMILESC=CC.CC(=O)N1C=C(C)CC1
InChIInChI=1S/C7H11NO.C3H6/c1-6-3-4-8(5-6)7(2)9;1-3-2/h5H,3-4H2,1-2H3;3H,1H2,2H3
InChIKeyOOIWZBAUENLXOB-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.33
Rot. Bonds

About 1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene

1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene (PubChem CID 143095314) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene.

Molecular Properties

Compound Name1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene
PubChem CID143095314
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene
SMILESC=CC.CC(=O)N1C=C(C)CC1
InChIInChI=1S/C7H11NO.C3H6/c1-6-3-4-8(5-6)7(2)9;1-3-2/h5H,3-4H2,1-2H3;3H,1H2,2H3
InChIKeyOOIWZBAUENLXOB-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene 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

N-Acetyl-2-pyrroline
CID 10909522
N,N-Dibutylbut-3-enamide
CID 15984652
N-butyl-N-isobutenylacetamide
CID 13299350
1-(2,3-Dihydropyrrol-1-yl)-2,2-dimethylpropan-1-one
CID 85682255
N-butyl-N-[(E)-prop-1-enyl]acetamide
CID 13169222
N-[(E)-but-1-enyl]-N-propylacetamide
CID 13169223
N-[(E)-but-1-enyl]-N-propylpropanamide
CID 13169228
1H-Pyrrole, 1-(2,2-dimethyl-1-oxobutyl)-2,3-dihydro-
CID 45088946
1-(2,3-Dihydropyrrol-1-yl)-2,2-dimethylbut-3-en-1-one
CID 139215921
N-but-3-enyl-N-ethenylacetamide
CID 15812115
1-(4-Methyl-2,3-dihydropyrrol-1-yl)ethanone
CID 14658395
1-(3,4-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropan-1-one
CID 15637682

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene?
The IUPAC name of 1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene (CID 143095314) is 1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene.
What is the SMILES notation for 1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene?
The canonical SMILES for 1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene is C=CC.CC(=O)N1C=C(C)CC1.
What is the InChIKey of 1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene?
The InChIKey is OOIWZBAUENLXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C3H6/c1-6-3-4-8(5-6)7(2)9;1-3-2/h5H,3-4H2,1-2H3;3H,1H2,2H3.
What are the key properties of 1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene?
1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene has a molecular weight of 167.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,3-dihydropyrrol-1-yl)ethanone;prop-1-ene is sourced from PubChem (CID 143095314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).