1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole

C23H39N — CID 137439439

IUPAC1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole
SMILESC=CC(CCCC(CCC)C(C)C)CN1CC(/C=C\C)=C(C)C1=C
InChIInChI=1S/C23H39N/c1-8-12-22(18(4)5)15-11-14-21(10-3)16-24-17-23(13-9-2)19(6)20(24)7/h9-10,13,18,21-22H,3,7-8,11-12,14-17H2,1-2,4-6H3/b13-9-
InChIKeyBPOOYBPJENQXBJ-LCYFTJDESA-N
MW329.57 g/mol
LogP6.75
Rot. Bonds11

About 1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole

1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole (PubChem CID 137439439) has the molecular formula C23H39N and a molecular weight of 329.57 g/mol. Its IUPAC name is 1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole.

Molecular Properties

Compound Name1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole
PubChem CID137439439
Molecular FormulaC23H39N
Molecular Weight329.57 g/mol
Exact Mass329.31
IUPAC Name1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole
SMILESC=CC(CCCC(CCC)C(C)C)CN1CC(/C=C\C)=C(C)C1=C
InChIInChI=1S/C23H39N/c1-8-12-22(18(4)5)15-11-14-21(10-3)16-24-17-23(13-9-2)19(6)20(24)7/h9-10,13,18,21-22H,3,7-8,11-12,14-17H2,1-2,4-6H3/b13-9-
InChIKeyBPOOYBPJENQXBJ-LCYFTJDESA-N
XLogP6.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole 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 1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole?
The IUPAC name of 1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole (CID 137439439) is 1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole.
What is the SMILES notation for 1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole?
The canonical SMILES for 1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole is C=CC(CCCC(CCC)C(C)C)CN1CC(/C=C\C)=C(C)C1=C.
What is the InChIKey of 1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole?
The InChIKey is BPOOYBPJENQXBJ-LCYFTJDESA-N. The full InChI is InChI=1S/C23H39N/c1-8-12-22(18(4)5)15-11-14-21(10-3)16-24-17-23(13-9-2)19(6)20(24)7/h9-10,13,18,21-22H,3,7-8,11-12,14-17H2,1-2,4-6H3/b13-9-.
What are the key properties of 1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole?
1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole has a molecular weight of 329.57 g/mol, XLogP of 6.75, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-6-propan-2-ylnonyl)-4-methyl-5-methylidene-3-[(Z)-prop-1-enyl]-2H-pyrrole is sourced from PubChem (CID 137439439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).