1,2,2,5,5-pentamethylpyrrole

C9H17N — CID 22946773

IUPAC1,2,2,5,5-pentamethylpyrrole
SMILESCN1C(C)(C)C=CC1(C)C
InChIInChI=1S/C9H17N/c1-8(2)6-7-9(3,4)10(8)5/h6-7H,1-5H3
InChIKeyKDTZZHXDPTWPGM-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds

About 1,2,2,5,5-pentamethylpyrrole

1,2,2,5,5-pentamethylpyrrole (PubChem CID 22946773) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1,2,2,5,5-pentamethylpyrrole.

Molecular Properties

Compound Name1,2,2,5,5-pentamethylpyrrole
PubChem CID22946773
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1,2,2,5,5-pentamethylpyrrole
SMILESCN1C(C)(C)C=CC1(C)C
InChIInChI=1S/C9H17N/c1-8(2)6-7-9(3,4)10(8)5/h6-7H,1-5H3
InChIKeyKDTZZHXDPTWPGM-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,5,5-pentamethylpyrrole?
The IUPAC name of 1,2,2,5,5-pentamethylpyrrole (CID 22946773) is 1,2,2,5,5-pentamethylpyrrole.
What is the SMILES notation for 1,2,2,5,5-pentamethylpyrrole?
The canonical SMILES for 1,2,2,5,5-pentamethylpyrrole is CN1C(C)(C)C=CC1(C)C.
What is the InChIKey of 1,2,2,5,5-pentamethylpyrrole?
The InChIKey is KDTZZHXDPTWPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)6-7-9(3,4)10(8)5/h6-7H,1-5H3.
What are the key properties of 1,2,2,5,5-pentamethylpyrrole?
1,2,2,5,5-pentamethylpyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,5,5-pentamethylpyrrole is sourced from PubChem (CID 22946773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).