2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole

C11H13N — CID 58342273

IUPAC2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole
SMILESCC1=CC=C(c2ccc(C)[nH]2)C1
InChIInChI=1S/C11H13N/c1-8-3-5-10(7-8)11-6-4-9(2)12-11/h3-6,12H,7H2,1-2H3
InChIKeyDAPBWNFJEGQLIG-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.06
Rot. Bonds1

About 2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole

2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole (PubChem CID 58342273) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole
PubChem CID58342273
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole
SMILESCC1=CC=C(c2ccc(C)[nH]2)C1
InChIInChI=1S/C11H13N/c1-8-3-5-10(7-8)11-6-4-9(2)12-11/h3-6,12H,7H2,1-2H3
InChIKeyDAPBWNFJEGQLIG-UHFFFAOYSA-N
XLogP3.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole?
The IUPAC name of 2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole (CID 58342273) is 2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole.
What is the SMILES notation for 2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole?
The canonical SMILES for 2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole is CC1=CC=C(c2ccc(C)[nH]2)C1.
What is the InChIKey of 2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole?
The InChIKey is DAPBWNFJEGQLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-3-5-10(7-8)11-6-4-9(2)12-11/h3-6,12H,7H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole?
2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole has a molecular weight of 159.23 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylcyclopenta-1,3-dien-1-yl)-1H-pyrrole is sourced from PubChem (CID 58342273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).