3-hex-1-enyl-1H-pyrrole-2,5-diol

C10H15NO2 — CID 54230941

IUPAC3-hex-1-enyl-1H-pyrrole-2,5-diol
SMILESCCCCC=Cc1cc(O)[nH]c1O
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-6-8-7-9(12)11-10(8)13/h5-7,11-13H,2-4H2,1H3
InChIKeyQJFCZJRFIVFJEI-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.63
Rot. Bonds4

About 3-hex-1-enyl-1H-pyrrole-2,5-diol

3-hex-1-enyl-1H-pyrrole-2,5-diol (PubChem CID 54230941) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-hex-1-enyl-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-hex-1-enyl-1H-pyrrole-2,5-diol
PubChem CID54230941
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-hex-1-enyl-1H-pyrrole-2,5-diol
SMILESCCCCC=Cc1cc(O)[nH]c1O
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-6-8-7-9(12)11-10(8)13/h5-7,11-13H,2-4H2,1H3
InChIKeyQJFCZJRFIVFJEI-UHFFFAOYSA-N
XLogP2.63
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hex-1-enyl-1H-pyrrole-2,5-diol 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

3-oct-3-enyl-1H-pyrrole-2,5-diol
CID 54193514
2-[(E)-hex-1-enyl]cycloprop-2-en-1-one
CID 10329344
4-dec-1-enylbenzene-1,3-diol
CID 140936059
3-[(E)-hex-1-enyl]phenol
CID 121007177
2-amino-4-hex-1-enylphenol
CID 151495931
1-[(E)-hex-1-enyl]-2-methylbenzene
CID 143283238
1,4-dibromo-2,5-bis(dodec-1-enyl)benzene
CID 67418150
2,4-dibromo-6-[(E)-heptadec-1-enyl]phenol
CID 10767322
3-hept-1-enyl-2-methylphenol
CID 140713587
3-dec-1-enylbenzene-1,2-diol
CID 139606028
5-tridec-1-enylbenzene-1,3-diol
CID 71328262
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768

Frequently Asked Questions

What is the IUPAC name of 3-hex-1-enyl-1H-pyrrole-2,5-diol?
The IUPAC name of 3-hex-1-enyl-1H-pyrrole-2,5-diol (CID 54230941) is 3-hex-1-enyl-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-hex-1-enyl-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-hex-1-enyl-1H-pyrrole-2,5-diol is CCCCC=Cc1cc(O)[nH]c1O.
What is the InChIKey of 3-hex-1-enyl-1H-pyrrole-2,5-diol?
The InChIKey is QJFCZJRFIVFJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-4-5-6-8-7-9(12)11-10(8)13/h5-7,11-13H,2-4H2,1H3.
What are the key properties of 3-hex-1-enyl-1H-pyrrole-2,5-diol?
3-hex-1-enyl-1H-pyrrole-2,5-diol has a molecular weight of 181.24 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-1-enyl-1H-pyrrole-2,5-diol is sourced from PubChem (CID 54230941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).