3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole

C10H12N2 — CID 58544417

IUPAC3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole
SMILESCC1C=CN=C1C1=NC=CC1C
InChIInChI=1S/C10H12N2/c1-7-3-5-11-9(7)10-8(2)4-6-12-10/h3-8H,1-2H3
InChIKeySWGSLUJAHCFSKK-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.20
Rot. Bonds1

About 3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole

3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole (PubChem CID 58544417) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole.

Molecular Properties

Compound Name3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole
PubChem CID58544417
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole
SMILESCC1C=CN=C1C1=NC=CC1C
InChIInChI=1S/C10H12N2/c1-7-3-5-11-9(7)10-8(2)4-6-12-10/h3-8H,1-2H3
InChIKeySWGSLUJAHCFSKK-UHFFFAOYSA-N
XLogP2.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 154991486
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2,3-dimethyl-3H-pyrrole
CID 17769177
2-tert-butyl-3H-pyrrole
CID 20633656
2-methyl-4-propan-2-yl-3H-pyrrole
CID 20745704
2-methyl-3-propyl-3H-pyrrole
CID 20806847
2-propan-2-yl-3H-pyrrole
CID 23563334
2-propan-2-yl-1-[(2-propan-2-yl-3H-pyrrol-1-ium-1-yl)methyl]-3H-pyrrol-1-ium
CID 58121440
2-(2,2-dimethylpropyl)-3H-pyrrole
CID 58530741
2-butan-2-yl-3H-pyrrole
CID 58559892
3-methyl-2-propan-2-yl-3H-pyrrole
CID 58564369
2-(3H-pyrrol-2-yl)-3H-pyrrole
CID 59381539

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole?
The IUPAC name of 3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole (CID 58544417) is 3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole.
What is the SMILES notation for 3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole?
The canonical SMILES for 3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole is CC1C=CN=C1C1=NC=CC1C.
What is the InChIKey of 3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole?
The InChIKey is SWGSLUJAHCFSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7-3-5-11-9(7)10-8(2)4-6-12-10/h3-8H,1-2H3.
What are the key properties of 3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole?
3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole has a molecular weight of 160.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methyl-3H-pyrrol-2-yl)-3H-pyrrole is sourced from PubChem (CID 58544417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).