4-amino-5-hexylideneimidazol-2-one

C9H15N3O — CID 56991494

IUPAC4-amino-5-hexylideneimidazol-2-one
SMILESCCCCCC=C1NC(=O)N=C1N
InChIInChI=1S/C9H15N3O/c1-2-3-4-5-6-7-8(10)12-9(13)11-7/h6H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyOFOIELFHPFGBPQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.53
Rot. Bonds4

About 4-amino-5-hexylideneimidazol-2-one

4-amino-5-hexylideneimidazol-2-one (PubChem CID 56991494) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-amino-5-hexylideneimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-hexylideneimidazol-2-one
PubChem CID56991494
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-amino-5-hexylideneimidazol-2-one
SMILESCCCCCC=C1NC(=O)N=C1N
InChIInChI=1S/C9H15N3O/c1-2-3-4-5-6-7-8(10)12-9(13)11-7/h6H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyOFOIELFHPFGBPQ-UHFFFAOYSA-N
XLogP1.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-heptylidenepyrrolidine-2,5-dione
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4,5,6-tri(tridecylidene)-1H-pyridazine
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hexanal;titanium
CID 87066655
3-amino-4-pentylpyrrole-2,5-dione
CID 174783559
(4Z)-4-nonylidenepyrazolidin-3-one
CID 88776444
3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione
CID 70179423
heptadecylidenecyclopropane
CID 19760704
(2Z)-2-octylidenecyclopentan-1-one
CID 87161532

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hexylideneimidazol-2-one?
The IUPAC name of 4-amino-5-hexylideneimidazol-2-one (CID 56991494) is 4-amino-5-hexylideneimidazol-2-one.
What is the SMILES notation for 4-amino-5-hexylideneimidazol-2-one?
The canonical SMILES for 4-amino-5-hexylideneimidazol-2-one is CCCCCC=C1NC(=O)N=C1N.
What is the InChIKey of 4-amino-5-hexylideneimidazol-2-one?
The InChIKey is OFOIELFHPFGBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-3-4-5-6-7-8(10)12-9(13)11-7/h6H,2-5H2,1H3,(H3,10,11,12,13).
What are the key properties of 4-amino-5-hexylideneimidazol-2-one?
4-amino-5-hexylideneimidazol-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hexylideneimidazol-2-one is sourced from PubChem (CID 56991494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).