N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine

C9H11N3O — CID 140842162

IUPACN-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine
SMILESCC1=C(n2ccnc2)CCC1=NO
InChIInChI=1S/C9H11N3O/c1-7-8(11-13)2-3-9(7)12-5-4-10-6-12/h4-6,13H,2-3H2,1H3
InChIKeyGYNHBUSOQXBMCV-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.74
Rot. Bonds1

About N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine

N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine (PubChem CID 140842162) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine
PubChem CID140842162
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine
SMILESCC1=C(n2ccnc2)CCC1=NO
InChIInChI=1S/C9H11N3O/c1-7-8(11-13)2-3-9(7)12-5-4-10-6-12/h4-6,13H,2-3H2,1H3
InChIKeyGYNHBUSOQXBMCV-UHFFFAOYSA-N
XLogP1.74
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 123164453
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CID 122388933

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine?
The IUPAC name of N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine (CID 140842162) is N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine?
The canonical SMILES for N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine is CC1=C(n2ccnc2)CCC1=NO.
What is the InChIKey of N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine?
The InChIKey is GYNHBUSOQXBMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7-8(11-13)2-3-9(7)12-5-4-10-6-12/h4-6,13H,2-3H2,1H3.
What are the key properties of N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine?
N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine has a molecular weight of 177.21 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine is sourced from PubChem (CID 140842162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).