(8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C19H25N3O3 — CID 136580807

IUPAC(8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCOc1ccccc1N1CCC(CN2C(=O)[C@H]3CCCCN3C2=O)C1
InChIInChI=1S/C19H25N3O3/c1-25-17-8-3-2-6-15(17)20-11-9-14(12-20)13-22-18(23)16-7-4-5-10-21(16)19(22)24/h2-3,6,8,14,16H,4-5,7,9-13H2,1H3/t14?,16-/m1/s1
InChIKeyOXUUYFUFDGSACE-BZSJEYESSA-N
MW343.43 g/mol
LogP2.34
Rot. Bonds4

About (8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

(8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 136580807) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name(8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID136580807
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCOc1ccccc1N1CCC(CN2C(=O)[C@H]3CCCCN3C2=O)C1
InChIInChI=1S/C19H25N3O3/c1-25-17-8-3-2-6-15(17)20-11-9-14(12-20)13-22-18(23)16-7-4-5-10-21(16)19(22)24/h2-3,6,8,14,16H,4-5,7,9-13H2,1H3/t14?,16-/m1/s1
InChIKeyOXUUYFUFDGSACE-BZSJEYESSA-N
XLogP2.34
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione with MolForge

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Related Compounds

(8aS)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 986067
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
2-[[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclohexyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 67446337
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]butanoic acid
CID 83981953
(E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 119108419
2-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;hydrochloride
CID 52941712
2-(2-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2847719
2-[4-[4-(2-methoxyphenyl)butylamino]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride
CID 72711492
2-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42926668
1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 52511571
(7aS)-2-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 119033791

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of (8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 136580807) is (8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for (8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for (8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is COc1ccccc1N1CCC(CN2C(=O)[C@H]3CCCCN3C2=O)C1.
What is the InChIKey of (8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is OXUUYFUFDGSACE-BZSJEYESSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-25-17-8-3-2-6-15(17)20-11-9-14(12-20)13-22-18(23)16-7-4-5-10-21(16)19(22)24/h2-3,6,8,14,16H,4-5,7,9-13H2,1H3/t14?,16-/m1/s1.
What are the key properties of (8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
(8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 343.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 136580807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).