3-(2-aminoethylidene)pentane-1,5-diol

C7H15NO2 — CID 87084163

IUPAC3-(2-aminoethylidene)pentane-1,5-diol
SMILESNCC=C(CCO)CCO
InChIInChI=1S/C7H15NO2/c8-4-1-7(2-5-9)3-6-10/h1,9-10H,2-6,8H2
InChIKeyWZXMOOWCBZTXSE-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.36
Rot. Bonds5

About 3-(2-aminoethylidene)pentane-1,5-diol

3-(2-aminoethylidene)pentane-1,5-diol (PubChem CID 87084163) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(2-aminoethylidene)pentane-1,5-diol.

Molecular Properties

Compound Name3-(2-aminoethylidene)pentane-1,5-diol
PubChem CID87084163
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(2-aminoethylidene)pentane-1,5-diol
SMILESNCC=C(CCO)CCO
InChIInChI=1S/C7H15NO2/c8-4-1-7(2-5-9)3-6-10/h1,9-10H,2-6,8H2
InChIKeyWZXMOOWCBZTXSE-UHFFFAOYSA-N
XLogP-0.36
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylidene)pentane-1,5-diol?
The IUPAC name of 3-(2-aminoethylidene)pentane-1,5-diol (CID 87084163) is 3-(2-aminoethylidene)pentane-1,5-diol.
What is the SMILES notation for 3-(2-aminoethylidene)pentane-1,5-diol?
The canonical SMILES for 3-(2-aminoethylidene)pentane-1,5-diol is NCC=C(CCO)CCO.
What is the InChIKey of 3-(2-aminoethylidene)pentane-1,5-diol?
The InChIKey is WZXMOOWCBZTXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c8-4-1-7(2-5-9)3-6-10/h1,9-10H,2-6,8H2.
What are the key properties of 3-(2-aminoethylidene)pentane-1,5-diol?
3-(2-aminoethylidene)pentane-1,5-diol has a molecular weight of 145.20 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylidene)pentane-1,5-diol is sourced from PubChem (CID 87084163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).