N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide

C15H16N2O3 — CID 110480960

IUPACN-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCOc2ccccc2C1O)c1ccc[nH]1
InChIInChI=1S/C15H16N2O3/c18-14-10-4-1-2-6-13(10)20-9-7-11(14)17-15(19)12-5-3-8-16-12/h1-6,8,11,14,16,18H,7,9H2,(H,17,19)
InChIKeyZNFHNVOQJDPGPW-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.63
Rot. Bonds2

About N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide

N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 110480960) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID110480960
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCOc2ccccc2C1O)c1ccc[nH]1
InChIInChI=1S/C15H16N2O3/c18-14-10-4-1-2-6-13(10)20-9-7-11(14)17-15(19)12-5-3-8-16-12/h1-6,8,11,14,16,18H,7,9H2,(H,17,19)
InChIKeyZNFHNVOQJDPGPW-UHFFFAOYSA-N
XLogP1.63
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide 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

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572299
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572300
N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-3-oxobutanamide
CID 110477356
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1H-pyrrole-2-carboxamide
CID 141284427
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide
CID 9159432
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide (CID 110480960) is N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide is O=C(NC1CCOc2ccccc2C1O)c1ccc[nH]1.
What is the InChIKey of N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZNFHNVOQJDPGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14-10-4-1-2-6-13(10)20-9-7-11(14)17-15(19)12-5-3-8-16-12/h1-6,8,11,14,16,18H,7,9H2,(H,17,19).
What are the key properties of N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide?
N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110480960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).