ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate

C15H16N2O3 — CID 135604704

IUPACethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate
SMILESCCOC(=O)c1nc2n(c1O)CC(c1ccccc1)C2
InChIInChI=1S/C15H16N2O3/c1-2-20-15(19)13-14(18)17-9-11(8-12(17)16-13)10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3
InChIKeyMBQHQXFKSPQDSN-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.11
Rot. Bonds3

About ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate

ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate (PubChem CID 135604704) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate
PubChem CID135604704
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate
SMILESCCOC(=O)c1nc2n(c1O)CC(c1ccccc1)C2
InChIInChI=1S/C15H16N2O3/c1-2-20-15(19)13-14(18)17-9-11(8-12(17)16-13)10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3
InChIKeyMBQHQXFKSPQDSN-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-hydroxy-6-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-2-carboxylate
CID 135604706
ethyl 1,5-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 122367862
3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 12764895
2-chloro-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid
CID 134691402
ethyl 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate
CID 61385455
ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate
CID 22267745
ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
CID 67953969
ethyl 2-(3-phenylcyclobutylidene)acetate
CID 178132588
ethyl (5S,7R)-7-hydroxy-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxylate
CID 134571894
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl (4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 757835
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate?
The IUPAC name of ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate (CID 135604704) is ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate is CCOC(=O)c1nc2n(c1O)CC(c1ccccc1)C2.
What is the InChIKey of ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate?
The InChIKey is MBQHQXFKSPQDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-20-15(19)13-14(18)17-9-11(8-12(17)16-13)10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3.
What are the key properties of ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate?
ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-6-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylate is sourced from PubChem (CID 135604704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).