3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole

C14H18N2 — CID 170990909

IUPAC3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole
SMILESCCc1c(C)[nH]c(C=C2C=C(C)C=N2)c1C
InChIInChI=1S/C14H18N2/c1-5-13-10(3)14(16-11(13)4)7-12-6-9(2)8-15-12/h6-8,16H,5H2,1-4H3
InChIKeySCOOCCRQPINNTA-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.57
Rot. Bonds2

About 3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole

3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole (PubChem CID 170990909) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole.

Molecular Properties

Compound Name3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole
PubChem CID170990909
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole
SMILESCCc1c(C)[nH]c(C=C2C=C(C)C=N2)c1C
InChIInChI=1S/C14H18N2/c1-5-13-10(3)14(16-11(13)4)7-12-6-9(2)8-15-12/h6-8,16H,5H2,1-4H3
InChIKeySCOOCCRQPINNTA-UHFFFAOYSA-N
XLogP3.57
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole?
The IUPAC name of 3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole (CID 170990909) is 3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole.
What is the SMILES notation for 3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole?
The canonical SMILES for 3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole is CCc1c(C)[nH]c(C=C2C=C(C)C=N2)c1C.
What is the InChIKey of 3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole?
The InChIKey is SCOOCCRQPINNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-5-13-10(3)14(16-11(13)4)7-12-6-9(2)8-15-12/h6-8,16H,5H2,1-4H3.
What are the key properties of 3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole?
3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole has a molecular weight of 214.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole is sourced from PubChem (CID 170990909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).