2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium

C8H14NO+ — CID 163764580

IUPAC2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium
SMILESC=[N+]=CCC1CCC(O)C1
InChIInChI=1S/C8H14NO/c1-9-5-4-7-2-3-8(10)6-7/h5,7-8,10H,1-4,6H2/q+1
InChIKeyDVDZGPZZQUFUAF-UHFFFAOYSA-N
MW140.21 g/mol
LogP0.38
Rot. Bonds2

About 2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium

2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium (PubChem CID 163764580) has the molecular formula C8H14NO+ and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium.

Molecular Properties

Compound Name2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium
PubChem CID163764580
Molecular FormulaC8H14NO+
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Name2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium
SMILESC=[N+]=CCC1CCC(O)C1
InChIInChI=1S/C8H14NO/c1-9-5-4-7-2-3-8(10)6-7/h5,7-8,10H,1-4,6H2/q+1
InChIKeyDVDZGPZZQUFUAF-UHFFFAOYSA-N
XLogP0.38
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(Hydroxymethyliminomethyl)cyclopentyl]methanol
CID 66595155
3-Methanimidoylcyclopentan-1-ol
CID 130266062
4-(Methyliminomethyl)cyclohexan-1-ol
CID 130445428
1-Cyclopentyl-2-iminoethanol
CID 152468061
(1S)-3-(methyliminomethyl)cyclopentan-1-ol
CID 166905406
(1R)-2-(methyliminomethyl)cyclopentan-1-ol
CID 174340923

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium?
The IUPAC name of 2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium (CID 163764580) is 2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium.
What is the SMILES notation for 2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium?
The canonical SMILES for 2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium is C=[N+]=CCC1CCC(O)C1.
What is the InChIKey of 2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium?
The InChIKey is DVDZGPZZQUFUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO/c1-9-5-4-7-2-3-8(10)6-7/h5,7-8,10H,1-4,6H2/q+1.
What are the key properties of 2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium?
2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium has a molecular weight of 140.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxycyclopentyl)ethylidene-methylideneazanium is sourced from PubChem (CID 163764580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).