5-(2-methylpent-1-en-3-yl)-2H-pyrrole

C10H15N — CID 134365672

IUPAC5-(2-methylpent-1-en-3-yl)-2H-pyrrole
SMILESC=C(C)C(CC)C1=NCC=C1
InChIInChI=1S/C10H15N/c1-4-9(8(2)3)10-6-5-7-11-10/h5-6,9H,2,4,7H2,1,3H3
InChIKeySRGFVPQMJVSDEM-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.60
Rot. Bonds3

About 5-(2-methylpent-1-en-3-yl)-2H-pyrrole

5-(2-methylpent-1-en-3-yl)-2H-pyrrole (PubChem CID 134365672) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 5-(2-methylpent-1-en-3-yl)-2H-pyrrole.

Molecular Properties

Compound Name5-(2-methylpent-1-en-3-yl)-2H-pyrrole
PubChem CID134365672
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name5-(2-methylpent-1-en-3-yl)-2H-pyrrole
SMILESC=C(C)C(CC)C1=NCC=C1
InChIInChI=1S/C10H15N/c1-4-9(8(2)3)10-6-5-7-11-10/h5-6,9H,2,4,7H2,1,3H3
InChIKeySRGFVPQMJVSDEM-UHFFFAOYSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.60
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 5-(2-methylpent-1-en-3-yl)-2H-pyrrole?
The IUPAC name of 5-(2-methylpent-1-en-3-yl)-2H-pyrrole (CID 134365672) is 5-(2-methylpent-1-en-3-yl)-2H-pyrrole.
What is the SMILES notation for 5-(2-methylpent-1-en-3-yl)-2H-pyrrole?
The canonical SMILES for 5-(2-methylpent-1-en-3-yl)-2H-pyrrole is C=C(C)C(CC)C1=NCC=C1.
What is the InChIKey of 5-(2-methylpent-1-en-3-yl)-2H-pyrrole?
The InChIKey is SRGFVPQMJVSDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-4-9(8(2)3)10-6-5-7-11-10/h5-6,9H,2,4,7H2,1,3H3.
What are the key properties of 5-(2-methylpent-1-en-3-yl)-2H-pyrrole?
5-(2-methylpent-1-en-3-yl)-2H-pyrrole has a molecular weight of 149.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpent-1-en-3-yl)-2H-pyrrole is sourced from PubChem (CID 134365672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).