2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-

C11H16N2O2 — CID 4819

IUPAC3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
SMILESCCC1C(COC1=O)CC2=CN=CN2C
InChIInChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyQCHFTSOMWOSFHM-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.10
Rot. Bonds3

About 2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-

2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)- (PubChem CID 4819) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one.

Molecular Properties

Compound Name2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-
PubChem CID4819
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
SMILESCCC1C(COC1=O)CC2=CN=CN2C
InChIInChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyQCHFTSOMWOSFHM-UHFFFAOYSA-N
XLogP1.10
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity245

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)- 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

Pilocarpine
CID 5910
Pilocarpine Hydrochloride
CID 5909
Pilocarpine Nitrate
CID 657349
UK 396082
CID 11241908
Isopilocarpine hydrochloride
CID 10285971
(+)-Isopilocarpine
CID 91468
(-)-Pilocarpine
CID 307957
Pilosinine
CID 12314275
Isopilocarpine nitrate
CID 94315
(+/-)-5-amino-2-((1-propyl-1H-imidazol-4-yl)methyl)pentanoic acid
CID 9816170
Pilocarbine
CID 44309527
5-(4-Ethyl-tetrahydro-furan-3-ylmethyl)-1-methyl-1H-imidazole
CID 44323857

Frequently Asked Questions

What is the IUPAC name of 2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-?
The IUPAC name of 2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)- (CID 4819) is 3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one.
What is the SMILES notation for 2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-?
The canonical SMILES for 2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)- is CCC1C(COC1=O)CC2=CN=CN2C.
What is the InChIKey of 2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-?
The InChIKey is QCHFTSOMWOSFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3.
What are the key properties of 2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-?
2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)- has a molecular weight of 208.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)- is sourced from PubChem (CID 4819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).