1-pentylpyrrole;propane

C12H23N — CID 174972146

IUPAC1-pentylpyrrole;propane
SMILESCCC.CCCCCn1cccc1
InChIInChI=1S/C9H15N.C3H8/c1-2-3-4-7-10-8-5-6-9-10;1-3-2/h5-6,8-9H,2-4,7H2,1H3;3H2,1-2H3
InChIKeyDBHFVHWLDGBPCK-UHFFFAOYSA-N
MW181.32 g/mol
LogP4.09
Rot. Bonds4

About 1-pentylpyrrole;propane

1-pentylpyrrole;propane (PubChem CID 174972146) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-pentylpyrrole;propane.

Molecular Properties

Compound Name1-pentylpyrrole;propane
PubChem CID174972146
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-pentylpyrrole;propane
SMILESCCC.CCCCCn1cccc1
InChIInChI=1S/C9H15N.C3H8/c1-2-3-4-7-10-8-5-6-9-10;1-3-2/h5-6,8-9H,2-4,7H2,1H3;3H2,1-2H3
InChIKeyDBHFVHWLDGBPCK-UHFFFAOYSA-N
XLogP4.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-pentylpyrrole;propane 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

1-heptadecylpyrrole
CID 23344128
1-docosylpyrrole
CID 23344131
1-(7-ethylheptadecyl)pyrrole
CID 175196584
dodecyl-dimethyl-(2-pyrrol-1-ylethyl)azanium
CID 91601822
1-pentylpyrazole;propane
CID 156859541
1-dodecylpyrrole;pyrrolidin-2-one
CID 175299965
1-octylpyrrole;tetrabutylazanium;trifluoromethanesulfonate
CID 22311736
1-decylpyridin-4-imine
CID 534503
1-butyl-3-(2-pyrrol-1-ylethyl)urea
CID 103740925
1-pyrrol-1-yloctadecan-2-one
CID 3310320
1-methoxyundecan-2-yl(6-pyrrol-1-ylhexyl)diazene
CID 58935096
1-hexyl-3,4-dimethylpyrrole
CID 11252331

Frequently Asked Questions

What is the IUPAC name of 1-pentylpyrrole;propane?
The IUPAC name of 1-pentylpyrrole;propane (CID 174972146) is 1-pentylpyrrole;propane.
What is the SMILES notation for 1-pentylpyrrole;propane?
The canonical SMILES for 1-pentylpyrrole;propane is CCC.CCCCCn1cccc1.
What is the InChIKey of 1-pentylpyrrole;propane?
The InChIKey is DBHFVHWLDGBPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C3H8/c1-2-3-4-7-10-8-5-6-9-10;1-3-2/h5-6,8-9H,2-4,7H2,1H3;3H2,1-2H3.
What are the key properties of 1-pentylpyrrole;propane?
1-pentylpyrrole;propane has a molecular weight of 181.32 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpyrrole;propane is sourced from PubChem (CID 174972146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).