3-decyl-1H-pyrrole

C14H25N — CID 22034821

IUPAC3-decyl-1H-pyrrole
SMILESCCCCCCCCCCc1cc[nH]c1
InChIInChI=1S/C14H25N/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13-14/h11-13,15H,2-10H2,1H3
InChIKeyFFRZVVFLHHGORC-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.70
Rot. Bonds9

About 3-decyl-1H-pyrrole

3-decyl-1H-pyrrole (PubChem CID 22034821) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-decyl-1H-pyrrole.

Molecular Properties

Compound Name3-decyl-1H-pyrrole
PubChem CID22034821
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-decyl-1H-pyrrole
SMILESCCCCCCCCCCc1cc[nH]c1
InChIInChI=1S/C14H25N/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13-14/h11-13,15H,2-10H2,1H3
InChIKeyFFRZVVFLHHGORC-UHFFFAOYSA-N
XLogP4.70
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethylpyrrole
CID 39539
2-Phenylpyrrole
CID 72898
4,5,6,7-Tetrahydroindole
CID 97429
N-methyl,N-(benzyl),N-(pyrrol-2-ylmethyl)amine
CID 11805737
2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene
CID 9815594
2,3-Dimethyl-1H-pyrrole
CID 39538
3-ethyl-1H-pyrrole
CID 258383
(2-phenylethyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110292
methyl(2-phenylethyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110293
methyl(3-phenylpropyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110294
methyl(4-phenylbutyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110295
methyl(1-phenylethyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110297

Frequently Asked Questions

What is the IUPAC name of 3-decyl-1H-pyrrole?
The IUPAC name of 3-decyl-1H-pyrrole (CID 22034821) is 3-decyl-1H-pyrrole.
What is the SMILES notation for 3-decyl-1H-pyrrole?
The canonical SMILES for 3-decyl-1H-pyrrole is CCCCCCCCCCc1cc[nH]c1.
What is the InChIKey of 3-decyl-1H-pyrrole?
The InChIKey is FFRZVVFLHHGORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13-14/h11-13,15H,2-10H2,1H3.
What are the key properties of 3-decyl-1H-pyrrole?
3-decyl-1H-pyrrole has a molecular weight of 207.36 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-1H-pyrrole is sourced from PubChem (CID 22034821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).