ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate

C17H19NO3 — CID 102604479

IUPACethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CC1CCOc2ccccc21
InChIInChI=1S/C17H19NO3/c1-2-20-17(19)15-7-5-10-18(15)12-13-9-11-21-16-8-4-3-6-14(13)16/h3-8,10,13H,2,9,11-12H2,1H3
InChIKeyLEAIHALFKDVDBP-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.23
Rot. Bonds4

About ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate

ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate (PubChem CID 102604479) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate
PubChem CID102604479
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CC1CCOc2ccccc21
InChIInChI=1S/C17H19NO3/c1-2-20-17(19)15-7-5-10-18(15)12-13-9-11-21-16-8-4-3-6-14(13)16/h3-8,10,13H,2,9,11-12H2,1H3
InChIKeyLEAIHALFKDVDBP-UHFFFAOYSA-N
XLogP3.23
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate 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

ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)tetrazole-5-carboxylate
CID 104772435
ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
CID 105422013
N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 104769087
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole
CID 104771550
ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate
CID 115628852
ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate
CID 115882041
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]ethanamine
CID 104771079
ethyl 4-(4-oxo-8-oxa-3-azatricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-3-yl)benzoate
CID 42628300
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
ethyl 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate
CID 105422100
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate (CID 102604479) is ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate is CCOC(=O)c1cccn1CC1CCOc2ccccc21.
What is the InChIKey of ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate?
The InChIKey is LEAIHALFKDVDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-20-17(19)15-7-5-10-18(15)12-13-9-11-21-16-8-4-3-6-14(13)16/h3-8,10,13H,2,9,11-12H2,1H3.
What are the key properties of ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate?
ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 102604479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).