(E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide

C15H16N2O2 — CID 170878136

IUPAC(E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide
SMILESCOc1ccccc1Cn1cccc1/C=C/C(N)=O
InChIInChI=1S/C15H16N2O2/c1-19-14-7-3-2-5-12(14)11-17-10-4-6-13(17)8-9-15(16)18/h2-10H,11H2,1H3,(H2,16,18)/b9-8+
InChIKeyYCNGOFJJSKCDNO-CMDGGOBGSA-N
MW256.31 g/mol
LogP2.04
Rot. Bonds5

About (E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide

(E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide (PubChem CID 170878136) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide
PubChem CID170878136
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide
SMILESCOc1ccccc1Cn1cccc1/C=C/C(N)=O
InChIInChI=1S/C15H16N2O2/c1-19-14-7-3-2-5-12(14)11-17-10-4-6-13(17)8-9-15(16)18/h2-10H,11H2,1H3,(H2,16,18)/b9-8+
InChIKeyYCNGOFJJSKCDNO-CMDGGOBGSA-N
XLogP2.04
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide 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

1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 22309095
1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 82117381
ethanol;ethyl (E)-3-[1-[(4-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enoate;(E)-3-[1-[(4-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enoic acid
CID 159829005
2-[(4-methoxyindol-1-yl)methyl]benzamide
CID 83165956
3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
1-[(3,4-dimethoxyphenyl)methyl]pyrrole-2-carbaldehyde
CID 43555151
(2Z,5E)-6-[1-[(2,5-difluorophenyl)methyl]pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
CID 72711164
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 29063574
methyl 2-[2-(3-amino-3-oxoprop-1-enyl)phenyl]acetate
CID 169482244
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
1-[(E)-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 46372103

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide (CID 170878136) is (E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide is COc1ccccc1Cn1cccc1/C=C/C(N)=O.
What is the InChIKey of (E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide?
The InChIKey is YCNGOFJJSKCDNO-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-14-7-3-2-5-12(14)11-17-10-4-6-13(17)8-9-15(16)18/h2-10H,11H2,1H3,(H2,16,18)/b9-8+.
What are the key properties of (E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide?
(E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide has a molecular weight of 256.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 170878136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).