3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole

C13H16N2 — CID 123577468

IUPAC3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole
SMILESC=c1cc(C)/c(=C\c2[nH]c(C)cc2C)[nH]1
InChIInChI=1S/C13H16N2/c1-8-5-10(3)14-12(8)7-13-9(2)6-11(4)15-13/h5-7,14-15H,3H2,1-2,4H3/b12-7+
InChIKeyRBOUOUZNFXPQAE-KPKJPENVSA-N
MW200.28 g/mol
LogP1.51
Rot. Bonds1

About 3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole

3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole (PubChem CID 123577468) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole.

Molecular Properties

Compound Name3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole
PubChem CID123577468
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole
SMILESC=c1cc(C)/c(=C\c2[nH]c(C)cc2C)[nH]1
InChIInChI=1S/C13H16N2/c1-8-5-10(3)14-12(8)7-13-9(2)6-11(4)15-13/h5-7,14-15H,3H2,1-2,4H3/b12-7+
InChIKeyRBOUOUZNFXPQAE-KPKJPENVSA-N
XLogP1.51
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole?
The IUPAC name of 3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole (CID 123577468) is 3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole.
What is the SMILES notation for 3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole?
The canonical SMILES for 3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole is C=c1cc(C)/c(=C\c2[nH]c(C)cc2C)[nH]1.
What is the InChIKey of 3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole?
The InChIKey is RBOUOUZNFXPQAE-KPKJPENVSA-N. The full InChI is InChI=1S/C13H16N2/c1-8-5-10(3)14-12(8)7-13-9(2)6-11(4)15-13/h5-7,14-15H,3H2,1-2,4H3/b12-7+.
What are the key properties of 3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole?
3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole has a molecular weight of 200.28 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole is sourced from PubChem (CID 123577468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).