4-butyl-2-methylcyclopenta[b]pyrrole

C12H15N — CID 91407824

IUPAC4-butyl-2-methylcyclopenta[b]pyrrole
SMILESCCCCC1=C2C=C(C)N=C2C=C1
InChIInChI=1S/C12H15N/c1-3-4-5-10-6-7-12-11(10)8-9(2)13-12/h6-8H,3-5H2,1-2H3
InChIKeySLENLTCHSHCNIM-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.40
Rot. Bonds3

About 4-butyl-2-methylcyclopenta[b]pyrrole

4-butyl-2-methylcyclopenta[b]pyrrole (PubChem CID 91407824) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-butyl-2-methylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name4-butyl-2-methylcyclopenta[b]pyrrole
PubChem CID91407824
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4-butyl-2-methylcyclopenta[b]pyrrole
SMILESCCCCC1=C2C=C(C)N=C2C=C1
InChIInChI=1S/C12H15N/c1-3-4-5-10-6-7-12-11(10)8-9(2)13-12/h6-8H,3-5H2,1-2H3
InChIKeySLENLTCHSHCNIM-UHFFFAOYSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dihydroindeno[1,2-b]indole
CID 69302209
Dihydrocyclopenta[b]indole
CID 129801781
2-Propan-2-ylcyclopenta[b]pyrrole
CID 17855613
2-Butylcyclopenta[b]pyrrole
CID 17855694
2-Methylcyclopenta[b]pyrrole
CID 17855717
2-Ethylcyclopenta[b]pyrrole
CID 17855736
2-Tert-butylcyclopenta[b]pyrrole
CID 17855881
2,4,6-Trimethylcyclopenta[b]pyrrole
CID 17855906
2,5-Dimethylcyclopenta[b]pyrrole
CID 17911139
2-methyl-5H-indole
CID 18732311
2,4,5-Trimethyl-3,6-dihydrocyclopenta[b]pyrrole
CID 20647159
3-Butylcyclopenta[b]pyrrole
CID 21095249

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methylcyclopenta[b]pyrrole?
The IUPAC name of 4-butyl-2-methylcyclopenta[b]pyrrole (CID 91407824) is 4-butyl-2-methylcyclopenta[b]pyrrole.
What is the SMILES notation for 4-butyl-2-methylcyclopenta[b]pyrrole?
The canonical SMILES for 4-butyl-2-methylcyclopenta[b]pyrrole is CCCCC1=C2C=C(C)N=C2C=C1.
What is the InChIKey of 4-butyl-2-methylcyclopenta[b]pyrrole?
The InChIKey is SLENLTCHSHCNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-4-5-10-6-7-12-11(10)8-9(2)13-12/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-butyl-2-methylcyclopenta[b]pyrrole?
4-butyl-2-methylcyclopenta[b]pyrrole has a molecular weight of 173.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methylcyclopenta[b]pyrrole is sourced from PubChem (CID 91407824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).