3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol

C8H14N2O — CID 68992665

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol
SMILESC=CC(C1=NCCN1)C(C)O
InChIInChI=1S/C8H14N2O/c1-3-7(6(2)11)8-9-4-5-10-8/h3,6-7,11H,1,4-5H2,2H3,(H,9,10)
InChIKeyKFMWBFRFCVWHJA-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.17
Rot. Bonds3

About 3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol

3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol (PubChem CID 68992665) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol
PubChem CID68992665
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol
SMILESC=CC(C1=NCCN1)C(C)O
InChIInChI=1S/C8H14N2O/c1-3-7(6(2)11)8-9-4-5-10-8/h3,6-7,11H,1,4-5H2,2H3,(H,9,10)
InChIKeyKFMWBFRFCVWHJA-UHFFFAOYSA-N
XLogP0.17
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol (CID 68992665) is 3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol is C=CC(C1=NCCN1)C(C)O.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol?
The InChIKey is KFMWBFRFCVWHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-7(6(2)11)8-9-4-5-10-8/h3,6-7,11H,1,4-5H2,2H3,(H,9,10).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol?
3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol has a molecular weight of 154.21 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-2-ol is sourced from PubChem (CID 68992665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).