2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole

C10H15N — CID 70627872

IUPAC2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole
SMILESC=CCC1=NC(CC=C)CC1
InChIInChI=1S/C10H15N/c1-3-5-9-7-8-10(11-9)6-4-2/h3-4,9H,1-2,5-8H2
InChIKeyBMIBQKXHOYVVNY-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.74
Rot. Bonds4

About 2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole

2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole (PubChem CID 70627872) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole
PubChem CID70627872
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole
SMILESC=CCC1=NC(CC=C)CC1
InChIInChI=1S/C10H15N/c1-3-5-9-7-8-10(11-9)6-4-2/h3-4,9H,1-2,5-8H2
InChIKeyBMIBQKXHOYVVNY-UHFFFAOYSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.74
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 2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole (CID 70627872) is 2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole is C=CCC1=NC(CC=C)CC1.
What is the InChIKey of 2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is BMIBQKXHOYVVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-5-9-7-8-10(11-9)6-4-2/h3-4,9H,1-2,5-8H2.
What are the key properties of 2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole?
2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 149.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 70627872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).