(Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one

C8H12N2O2 — CID 135471303

IUPAC(Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one
SMILESCC(=O)/C(C1=NCCN1)=C(/C)O
InChIInChI=1S/C8H12N2O2/c1-5(11)7(6(2)12)8-9-3-4-10-8/h11H,3-4H2,1-2H3,(H,9,10)/b7-5+
InChIKeyAHIKSGOVCHYTTP-FNORWQNLSA-N
MW168.20 g/mol
LogP0.41
Rot. Bonds2

About (Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one

(Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one (PubChem CID 135471303) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one
PubChem CID135471303
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one
SMILESCC(=O)/C(C1=NCCN1)=C(/C)O
InChIInChI=1S/C8H12N2O2/c1-5(11)7(6(2)12)8-9-3-4-10-8/h11H,3-4H2,1-2H3,(H,9,10)/b7-5+
InChIKeyAHIKSGOVCHYTTP-FNORWQNLSA-N
XLogP0.41
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one?
The IUPAC name of (Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one (CID 135471303) is (Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one.
What is the SMILES notation for (Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one?
The canonical SMILES for (Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one is CC(=O)/C(C1=NCCN1)=C(/C)O.
What is the InChIKey of (Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one?
The InChIKey is AHIKSGOVCHYTTP-FNORWQNLSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(11)7(6(2)12)8-9-3-4-10-8/h11H,3-4H2,1-2H3,(H,9,10)/b7-5+.
What are the key properties of (Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one?
(Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one is sourced from PubChem (CID 135471303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).