1,3-dimethylpyrrole;oct-2-ene

C14H25N — CID 174987819

IUPAC1,3-dimethylpyrrole;oct-2-ene
SMILESCC=CCCCCC.Cc1ccn(C)c1
InChIInChI=1S/C8H16.C6H9N/c1-3-5-7-8-6-4-2;1-6-3-4-7(2)5-6/h3,5H,4,6-8H2,1-2H3;3-5H,1-2H3
InChIKeyLQBAKSCJFMUTHZ-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.48
Rot. Bonds4

About 1,3-dimethylpyrrole;oct-2-ene

1,3-dimethylpyrrole;oct-2-ene (PubChem CID 174987819) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1,3-dimethylpyrrole;oct-2-ene.

Molecular Properties

Compound Name1,3-dimethylpyrrole;oct-2-ene
PubChem CID174987819
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1,3-dimethylpyrrole;oct-2-ene
SMILESCC=CCCCCC.Cc1ccn(C)c1
InChIInChI=1S/C8H16.C6H9N/c1-3-5-7-8-6-4-2;1-6-3-4-7(2)5-6/h3,5H,4,6-8H2,1-2H3;3-5H,1-2H3
InChIKeyLQBAKSCJFMUTHZ-UHFFFAOYSA-N
XLogP4.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-dimethylpyrrole;oct-2-ene with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-oct-2-ene
CID 5356796
(Z)-icos-2-ene
CID 5352524
oct-2-ene;hydrochloride
CID 86744102
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
pentadeca-2,6-diene
CID 165019979
sodium;hydride;octadec-2-ene
CID 175594563
(2Z,6E)-dodeca-2,6-diene;palladium
CID 158734810
pentadeca-2,10-diene
CID 174048350
hexane;(Z)-hex-2-ene
CID 159343029
formic acid;oct-2-ene
CID 159391664
(Z)-dodec-2-ene;propan-2-one
CID 175013676

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrrole;oct-2-ene?
The IUPAC name of 1,3-dimethylpyrrole;oct-2-ene (CID 174987819) is 1,3-dimethylpyrrole;oct-2-ene.
What is the SMILES notation for 1,3-dimethylpyrrole;oct-2-ene?
The canonical SMILES for 1,3-dimethylpyrrole;oct-2-ene is CC=CCCCCC.Cc1ccn(C)c1.
What is the InChIKey of 1,3-dimethylpyrrole;oct-2-ene?
The InChIKey is LQBAKSCJFMUTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C6H9N/c1-3-5-7-8-6-4-2;1-6-3-4-7(2)5-6/h3,5H,4,6-8H2,1-2H3;3-5H,1-2H3.
What are the key properties of 1,3-dimethylpyrrole;oct-2-ene?
1,3-dimethylpyrrole;oct-2-ene has a molecular weight of 207.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrole;oct-2-ene is sourced from PubChem (CID 174987819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).