2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole

C15H17NO2 — CID 141154301

IUPAC2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole
SMILESC=C(Cc1ccc[nH]1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H17NO2/c1-11(9-13-5-4-8-16-13)12-6-7-14(17-2)15(10-12)18-3/h4-8,10,16H,1,9H2,2-3H3
InChIKeyNRMZMUJTMULSES-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.29
Rot. Bonds5

About 2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole

2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole (PubChem CID 141154301) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole
PubChem CID141154301
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole
SMILESC=C(Cc1ccc[nH]1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H17NO2/c1-11(9-13-5-4-8-16-13)12-6-7-14(17-2)15(10-12)18-3/h4-8,10,16H,1,9H2,2-3H3
InChIKeyNRMZMUJTMULSES-UHFFFAOYSA-N
XLogP3.29
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-chloro-10-[2-(3,4-dimethoxyphenyl)prop-2-enyl]anthracene
CID 141154302
3,4-dimethoxy-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327345
3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene
CID 141154304
5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole
CID 58549981
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3,4-dimethoxybenzoate
CID 3959315
1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene
CID 59021042
N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78829676
2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 57247164
1-[4-[2-(2-methoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110808662
2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol
CID 141187863
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 7558612
1-(3,4-dimethoxyphenyl)-2-methylprop-2-en-1-one
CID 79189812

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole (CID 141154301) is 2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole is C=C(Cc1ccc[nH]1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole?
The InChIKey is NRMZMUJTMULSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(9-13-5-4-8-16-13)12-6-7-14(17-2)15(10-12)18-3/h4-8,10,16H,1,9H2,2-3H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole?
2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole has a molecular weight of 243.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1H-pyrrole is sourced from PubChem (CID 141154301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).