2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole

C23H32N2 — CID 20681050

IUPAC2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole
SMILESCC1=C(C)C(C)(C)C(C2=C(C)C(C)=C(C3=NC(C)=C(C)C3(C)C)C2)=N1
InChIInChI=1S/C23H32N2/c1-12-13(2)19(21-23(9,10)15(4)17(6)25-21)11-18(12)20-22(7,8)14(3)16(5)24-20/h11H2,1-10H3
InChIKeyFXCAGXNONLGGQY-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.57
Rot. Bonds2

About 2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole

2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole (PubChem CID 20681050) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole.

Molecular Properties

Compound Name2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole
PubChem CID20681050
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole
SMILESCC1=C(C)C(C)(C)C(C2=C(C)C(C)=C(C3=NC(C)=C(C)C3(C)C)C2)=N1
InChIInChI=1S/C23H32N2/c1-12-13(2)19(21-23(9,10)15(4)17(6)25-21)11-18(12)20-22(7,8)14(3)16(5)24-20/h11H2,1-10H3
InChIKeyFXCAGXNONLGGQY-UHFFFAOYSA-N
XLogP6.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine
CID 20681059
N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine
CID 59189196
N,N,2,3-tetramethyl-4-[(1E)-1-[2-methyl-3-[(Z)-3-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine
CID 159610315
N,2,4,5-tetratert-butylpyrrol-3-imine
CID 14644664

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole?
The IUPAC name of 2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole (CID 20681050) is 2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole.
What is the SMILES notation for 2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole?
The canonical SMILES for 2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole is CC1=C(C)C(C)(C)C(C2=C(C)C(C)=C(C3=NC(C)=C(C)C3(C)C)C2)=N1.
What is the InChIKey of 2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole?
The InChIKey is FXCAGXNONLGGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-12-13(2)19(21-23(9,10)15(4)17(6)25-21)11-18(12)20-22(7,8)14(3)16(5)24-20/h11H2,1-10H3.
What are the key properties of 2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole?
2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole has a molecular weight of 336.52 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole is sourced from PubChem (CID 20681050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).