2,5-dimethyl-1-propylpyrrole

C9H15N — CID 527547

IUPAC2,5-dimethyl-1-propylpyrrole
SMILESCCCn1c(C)ccc1C
InChIInChI=1S/C9H15N/c1-4-7-10-8(2)5-6-9(10)3/h5-6H,4,7H2,1-3H3
InChIKeyCXSJSHHYPARDPV-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.51
Rot. Bonds2

About 2,5-dimethyl-1-propylpyrrole

2,5-dimethyl-1-propylpyrrole (PubChem CID 527547) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2,5-dimethyl-1-propylpyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-propylpyrrole
PubChem CID527547
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2,5-dimethyl-1-propylpyrrole
SMILESCCCn1c(C)ccc1C
InChIInChI=1S/C9H15N/c1-4-7-10-8(2)5-6-9(10)3/h5-6H,4,7H2,1-3H3
InChIKeyCXSJSHHYPARDPV-UHFFFAOYSA-N
XLogP2.51
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-propylpyrrole?
The IUPAC name of 2,5-dimethyl-1-propylpyrrole (CID 527547) is 2,5-dimethyl-1-propylpyrrole.
What is the SMILES notation for 2,5-dimethyl-1-propylpyrrole?
The canonical SMILES for 2,5-dimethyl-1-propylpyrrole is CCCn1c(C)ccc1C.
What is the InChIKey of 2,5-dimethyl-1-propylpyrrole?
The InChIKey is CXSJSHHYPARDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-7-10-8(2)5-6-9(10)3/h5-6H,4,7H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-propylpyrrole?
2,5-dimethyl-1-propylpyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-propylpyrrole is sourced from PubChem (CID 527547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).