(2-ethenylcyclopenten-1-yl)-methoxyazanium

C8H14NO+ — CID 145273820

IUPAC(2-ethenylcyclopenten-1-yl)-methoxyazanium
SMILESC=CC1=C([NH2+]OC)CCC1
InChIInChI=1S/C8H13NO/c1-3-7-5-4-6-8(7)9-10-2/h3,9H,1,4-6H2,2H3/p+1
InChIKeyIOQQEVAVYMLQLT-UHFFFAOYSA-O
MW140.21 g/mol
LogP0.74
Rot. Bonds3

About (2-ethenylcyclopenten-1-yl)-methoxyazanium

(2-ethenylcyclopenten-1-yl)-methoxyazanium (PubChem CID 145273820) has the molecular formula C8H14NO+ and a molecular weight of 140.21 g/mol. Its IUPAC name is (2-ethenylcyclopenten-1-yl)-methoxyazanium.

Molecular Properties

Compound Name(2-ethenylcyclopenten-1-yl)-methoxyazanium
PubChem CID145273820
Molecular FormulaC8H14NO+
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Name(2-ethenylcyclopenten-1-yl)-methoxyazanium
SMILESC=CC1=C([NH2+]OC)CCC1
InChIInChI=1S/C8H13NO/c1-3-7-5-4-6-8(7)9-10-2/h3,9H,1,4-6H2,2H3/p+1
InChIKeyIOQQEVAVYMLQLT-UHFFFAOYSA-O
XLogP0.74
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-ethenylcyclopenten-1-yl)-methoxyazanium 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 (2-ethenylcyclopenten-1-yl)-methoxyazanium?
The IUPAC name of (2-ethenylcyclopenten-1-yl)-methoxyazanium (CID 145273820) is (2-ethenylcyclopenten-1-yl)-methoxyazanium.
What is the SMILES notation for (2-ethenylcyclopenten-1-yl)-methoxyazanium?
The canonical SMILES for (2-ethenylcyclopenten-1-yl)-methoxyazanium is C=CC1=C([NH2+]OC)CCC1.
What is the InChIKey of (2-ethenylcyclopenten-1-yl)-methoxyazanium?
The InChIKey is IOQQEVAVYMLQLT-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13NO/c1-3-7-5-4-6-8(7)9-10-2/h3,9H,1,4-6H2,2H3/p+1.
What are the key properties of (2-ethenylcyclopenten-1-yl)-methoxyazanium?
(2-ethenylcyclopenten-1-yl)-methoxyazanium has a molecular weight of 140.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylcyclopenten-1-yl)-methoxyazanium is sourced from PubChem (CID 145273820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).