(7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one

C14H18N2O3 — CID 124931701

IUPAC(7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
SMILESCOc1ccc([C@]23CCC(=O)N2CCN3)cc1OC
InChIInChI=1S/C14H18N2O3/c1-18-11-4-3-10(9-12(11)19-2)14-6-5-13(17)16(14)8-7-15-14/h3-4,9,15H,5-8H2,1-2H3/t14-/m0/s1
InChIKeyDDLNCEMPSUIBCI-AWEZNQCLSA-N
MW262.31 g/mol
LogP1.08
Rot. Bonds3

About (7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one

(7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one (PubChem CID 124931701) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one.

Molecular Properties

Compound Name(7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
PubChem CID124931701
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
SMILESCOc1ccc([C@]23CCC(=O)N2CCN3)cc1OC
InChIInChI=1S/C14H18N2O3/c1-18-11-4-3-10(9-12(11)19-2)14-6-5-13(17)16(14)8-7-15-14/h3-4,9,15H,5-8H2,1-2H3/t14-/m0/s1
InChIKeyDDLNCEMPSUIBCI-AWEZNQCLSA-N
XLogP1.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one 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

8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
CID 71683605
(7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one
CID 135081939
2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 101455573
5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione
CID 116856099
2-(3,4-dimethoxyphenyl)-2-propan-2-ylpyrrolidine
CID 66467199
8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 15834177
3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one;hydrochloride
CID 22210568
4a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-quinolin-7-one
CID 102464596
1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110438011
4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene
CID 58988277
[1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
CID 110436742
(1R,2R,6S)-6-(3,4-dimethoxyphenyl)-3-methyl-3-azatricyclo[5.2.1.02,6]decan-9-one
CID 171567587

Frequently Asked Questions

What is the IUPAC name of (7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
The IUPAC name of (7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one (CID 124931701) is (7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one.
What is the SMILES notation for (7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
The canonical SMILES for (7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one is COc1ccc([C@]23CCC(=O)N2CCN3)cc1OC.
What is the InChIKey of (7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
The InChIKey is DDLNCEMPSUIBCI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-11-4-3-10(9-12(11)19-2)14-6-5-13(17)16(14)8-7-15-14/h3-4,9,15H,5-8H2,1-2H3/t14-/m0/s1.
What are the key properties of (7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one?
(7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one has a molecular weight of 262.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-7a-(3,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one is sourced from PubChem (CID 124931701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).