(3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane

C13H24N2O — CID 145148026

IUPAC(3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane
SMILESCC.CC1=CCN(C(=O)N2CC(C)(C)C2)C1
InChIInChI=1S/C11H18N2O.C2H6/c1-9-4-5-12(6-9)10(14)13-7-11(2,3)8-13;1-2/h4H,5-8H2,1-3H3;1-2H3
InChIKeyFDJAQQCPEMQBKU-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.74
Rot. Bonds

About (3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane

(3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane (PubChem CID 145148026) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane.

Molecular Properties

Compound Name(3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane
PubChem CID145148026
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane
SMILESCC.CC1=CCN(C(=O)N2CC(C)(C)C2)C1
InChIInChI=1S/C11H18N2O.C2H6/c1-9-4-5-12(6-9)10(14)13-7-11(2,3)8-13;1-2/h4H,5-8H2,1-3H3;1-2H3
InChIKeyFDJAQQCPEMQBKU-UHFFFAOYSA-N
XLogP2.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane 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

2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102659193
(3,3-dimethylazetidin-1-yl)-(4-iodopiperazin-1-yl)methanone
CID 138702022
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone
CID 106313552
ethane;(3-hydroxy-3-methylcyclobutyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 144802269
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 144802030
3-ethyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114411809
(5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone
CID 130702895
ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 145380354
2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane
CID 143657625
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114409449
(4-fluoro-2-methylphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115768398
(2-bromophenyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 130958890

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane?
The IUPAC name of (3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane (CID 145148026) is (3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane.
What is the SMILES notation for (3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane?
The canonical SMILES for (3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane is CC.CC1=CCN(C(=O)N2CC(C)(C)C2)C1.
What is the InChIKey of (3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane?
The InChIKey is FDJAQQCPEMQBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C2H6/c1-9-4-5-12(6-9)10(14)13-7-11(2,3)8-13;1-2/h4H,5-8H2,1-3H3;1-2H3.
What are the key properties of (3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane?
(3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane has a molecular weight of 224.35 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylazetidin-1-yl)-(3-methyl-2,5-dihydropyrrol-1-yl)methanone;ethane is sourced from PubChem (CID 145148026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).