5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde

C15H20N2O — CID 23628978

IUPAC5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde
SMILESCCCCCC(c1ccc[nH]1)c1ccc(C=O)[nH]1
InChIInChI=1S/C15H20N2O/c1-2-3-4-6-13(14-7-5-10-16-14)15-9-8-12(11-18)17-15/h5,7-11,13,16-17H,2-4,6H2,1H3
InChIKeyKUKOJUHCRCRWKS-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.87
Rot. Bonds7

About 5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde

5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde (PubChem CID 23628978) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde
PubChem CID23628978
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde
SMILESCCCCCC(c1ccc[nH]1)c1ccc(C=O)[nH]1
InChIInChI=1S/C15H20N2O/c1-2-3-4-6-13(14-7-5-10-16-14)15-9-8-12(11-18)17-15/h5,7-11,13,16-17H,2-4,6H2,1H3
InChIKeyKUKOJUHCRCRWKS-UHFFFAOYSA-N
XLogP3.87
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phenyl(1H-pyrrol-2-YL)methanone
CID 24370
(R)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxamide
CID 16110298
(S)-N-(alpha-Cyclohexylethyl)-1H-pyrrole-2-carboxamide
CID 16110303
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(1H-pyrrol-2-ylformamido)butanamide
CID 25093407
N-Methyl-4-Pyridin-4-Yl-1h-Pyrrole-2-Carboxamide
CID 129316487
4-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 68905654
4-(3-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide
CID 86274749
5-methyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 86274983
4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide
CID 86275227
3-methyl-4-(2-methyl-4-pyridinyl)-1H-pyrrole-2-carboxamide
CID 86275229
4-Ethylpyrrole-2-carboxaldehyde
CID 15260370
Mycalazal 16
CID 44605146

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde (CID 23628978) is 5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde is CCCCCC(c1ccc[nH]1)c1ccc(C=O)[nH]1.
What is the InChIKey of 5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde?
The InChIKey is KUKOJUHCRCRWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-4-6-13(14-7-5-10-16-14)15-9-8-12(11-18)17-15/h5,7-11,13,16-17H,2-4,6H2,1H3.
What are the key properties of 5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde?
5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde has a molecular weight of 244.34 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 23628978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).