(5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol

C23H45NO — CID 141262183

IUPAC(5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol
SMILESCCCCCCCCCCCCCCCCCC1=CC(C)(CO)CN1
InChIInChI=1S/C23H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(2,21-25)20-24-22/h19,24-25H,3-18,20-21H2,1-2H3
InChIKeyIWJMYZFZGOJQGA-UHFFFAOYSA-N
MW351.62 g/mol
LogP6.73
Rot. Bonds17

About (5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol

(5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol (PubChem CID 141262183) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is (5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol.

Molecular Properties

Compound Name(5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol
PubChem CID141262183
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name(5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol
SMILESCCCCCCCCCCCCCCCCCC1=CC(C)(CO)CN1
InChIInChI=1S/C23H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(2,21-25)20-24-22/h19,24-25H,3-18,20-21H2,1-2H3
InChIKeyIWJMYZFZGOJQGA-UHFFFAOYSA-N
XLogP6.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol 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

5-heptyl-2,3-dihydro-1H-pyrrole
CID 141242671
5-pentyl-2,3-dihydro-1H-pyrrole
CID 141242689
(7-octyl-1H-azepin-4-yl)methanol
CID 174604449
hexylbenzene;hydrogen peroxide
CID 90001206
4,5-didecylbenzene-1,2-diol
CID 15667809
2,3-dihexylbenzene-1,4-diol
CID 69329716
ethanol;bis(heptane);bis(hexane)
CID 173110983
methanediol;nonane
CID 159588378
ethanol;hexadecane
CID 21185421
2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol
CID 67823707
undecane chloride
CID 19736895
(5-methyl-3-pentyl-1-bicyclo[3.1.0]hex-2-enyl) acetate
CID 11977281

Frequently Asked Questions

What is the IUPAC name of (5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol?
The IUPAC name of (5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol (CID 141262183) is (5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol.
What is the SMILES notation for (5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol?
The canonical SMILES for (5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol is CCCCCCCCCCCCCCCCCC1=CC(C)(CO)CN1.
What is the InChIKey of (5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol?
The InChIKey is IWJMYZFZGOJQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(2,21-25)20-24-22/h19,24-25H,3-18,20-21H2,1-2H3.
What are the key properties of (5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol?
(5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol has a molecular weight of 351.62 g/mol, XLogP of 6.73, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol is sourced from PubChem (CID 141262183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).