3-methylcyclopenta[c]pyrrole

C8H7N — CID 21095564

IUPAC3-methylcyclopenta[c]pyrrole
SMILESCC1=C2C=CC=C2C=N1
InChIInChI=1S/C8H7N/c1-6-8-4-2-3-7(8)5-9-6/h2-5H,1H3
InChIKeyMDVYYRADSZWEEC-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.84
Rot. Bonds

About 3-methylcyclopenta[c]pyrrole

3-methylcyclopenta[c]pyrrole (PubChem CID 21095564) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-methylcyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-methylcyclopenta[c]pyrrole
PubChem CID21095564
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name3-methylcyclopenta[c]pyrrole
SMILESCC1=C2C=CC=C2C=N1
InChIInChI=1S/C8H7N/c1-6-8-4-2-3-7(8)5-9-6/h2-5H,1H3
InChIKeyMDVYYRADSZWEEC-UHFFFAOYSA-N
XLogP1.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopenta[c]pyrrole?
The IUPAC name of 3-methylcyclopenta[c]pyrrole (CID 21095564) is 3-methylcyclopenta[c]pyrrole.
What is the SMILES notation for 3-methylcyclopenta[c]pyrrole?
The canonical SMILES for 3-methylcyclopenta[c]pyrrole is CC1=C2C=CC=C2C=N1.
What is the InChIKey of 3-methylcyclopenta[c]pyrrole?
The InChIKey is MDVYYRADSZWEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-6-8-4-2-3-7(8)5-9-6/h2-5H,1H3.
What are the key properties of 3-methylcyclopenta[c]pyrrole?
3-methylcyclopenta[c]pyrrole has a molecular weight of 117.15 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopenta[c]pyrrole is sourced from PubChem (CID 21095564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).