1-methyl-3-propylpyrrole

C8H13N — CID 23131843

IUPAC1-methyl-3-propylpyrrole
SMILESCCCc1ccn(C)c1
InChIInChI=1S/C8H13N/c1-3-4-8-5-6-9(2)7-8/h5-7H,3-4H2,1-2H3
InChIKeyQTGQKVLMZFFGHA-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.98
Rot. Bonds2

About 1-methyl-3-propylpyrrole

1-methyl-3-propylpyrrole (PubChem CID 23131843) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-methyl-3-propylpyrrole.

Molecular Properties

Compound Name1-methyl-3-propylpyrrole
PubChem CID23131843
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-methyl-3-propylpyrrole
SMILESCCCc1ccn(C)c1
InChIInChI=1S/C8H13N/c1-3-4-8-5-6-9(2)7-8/h5-7H,3-4H2,1-2H3
InChIKeyQTGQKVLMZFFGHA-UHFFFAOYSA-N
XLogP1.98
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylpyrrole?
The IUPAC name of 1-methyl-3-propylpyrrole (CID 23131843) is 1-methyl-3-propylpyrrole.
What is the SMILES notation for 1-methyl-3-propylpyrrole?
The canonical SMILES for 1-methyl-3-propylpyrrole is CCCc1ccn(C)c1.
What is the InChIKey of 1-methyl-3-propylpyrrole?
The InChIKey is QTGQKVLMZFFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-4-8-5-6-9(2)7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-methyl-3-propylpyrrole?
1-methyl-3-propylpyrrole has a molecular weight of 123.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylpyrrole is sourced from PubChem (CID 23131843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).