7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid

C10H16N2O3 — CID 66614485

IUPAC7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid
SMILESO=C(O)CC(O)=CCCCC1=NCCN1
InChIInChI=1S/C10H16N2O3/c13-8(7-10(14)15)3-1-2-4-9-11-5-6-12-9/h3,13H,1-2,4-7H2,(H,11,12)(H,14,15)
InChIKeyQRKZLBDJYCZWMN-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.08
Rot. Bonds6

About 7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid

7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid (PubChem CID 66614485) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid.

Molecular Properties

Compound Name7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid
PubChem CID66614485
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid
SMILESO=C(O)CC(O)=CCCCC1=NCCN1
InChIInChI=1S/C10H16N2O3/c13-8(7-10(14)15)3-1-2-4-9-11-5-6-12-9/h3,13H,1-2,4-7H2,(H,11,12)(H,14,15)
InChIKeyQRKZLBDJYCZWMN-UHFFFAOYSA-N
XLogP1.08
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid?
The IUPAC name of 7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid (CID 66614485) is 7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid.
What is the SMILES notation for 7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid?
The canonical SMILES for 7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid is O=C(O)CC(O)=CCCCC1=NCCN1.
What is the InChIKey of 7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid?
The InChIKey is QRKZLBDJYCZWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-8(7-10(14)15)3-1-2-4-9-11-5-6-12-9/h3,13H,1-2,4-7H2,(H,11,12)(H,14,15).
What are the key properties of 7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid?
7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyhept-3-enoic acid is sourced from PubChem (CID 66614485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).