3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole

C10H15N — CID 89468961

IUPAC3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole
SMILESC=C/C=C\C1=C(C)CN(C)C1
InChIInChI=1S/C10H15N/c1-4-5-6-10-8-11(3)7-9(10)2/h4-6H,1,7-8H2,2-3H3/b6-5-
InChIKeyKRCDLAVWUFKCAA-WAYWQWQTSA-N
MW149.24 g/mol
LogP1.99
Rot. Bonds2

About 3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole

3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole (PubChem CID 89468961) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole
PubChem CID89468961
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole
SMILESC=C/C=C\C1=C(C)CN(C)C1
InChIInChI=1S/C10H15N/c1-4-5-6-10-8-11(3)7-9(10)2/h4-6H,1,7-8H2,2-3H3/b6-5-
InChIKeyKRCDLAVWUFKCAA-WAYWQWQTSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole (CID 89468961) is 3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole is C=C/C=C\C1=C(C)CN(C)C1.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole?
The InChIKey is KRCDLAVWUFKCAA-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H15N/c1-4-5-6-10-8-11(3)7-9(10)2/h4-6H,1,7-8H2,2-3H3/b6-5-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole?
3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole has a molecular weight of 149.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-1,4-dimethyl-2,5-dihydropyrrole is sourced from PubChem (CID 89468961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).