azane;pent-4-en-2-ol

C5H16N2O — CID 22149561

IUPACazane;pent-4-en-2-ol
SMILESC=CCC(C)O.N.N
InChIInChI=1S/C5H10O.2H3N/c1-3-4-5(2)6;;/h3,5-6H,1,4H2,2H3;2*1H3
InChIKeyLVKMVHHNAWEJRP-UHFFFAOYSA-N
MW120.20 g/mol
LogP1.27
Rot. Bonds2

About azane;pent-4-en-2-ol

azane;pent-4-en-2-ol (PubChem CID 22149561) has the molecular formula C5H16N2O and a molecular weight of 120.20 g/mol. Its IUPAC name is azane;pent-4-en-2-ol.

Molecular Properties

Compound Nameazane;pent-4-en-2-ol
PubChem CID22149561
Molecular FormulaC5H16N2O
Molecular Weight120.20 g/mol
Exact Mass120.13
IUPAC Nameazane;pent-4-en-2-ol
SMILESC=CCC(C)O.N.N
InChIInChI=1S/C5H10O.2H3N/c1-3-4-5(2)6;;/h3,5-6H,1,4H2,2H3;2*1H3
InChIKeyLVKMVHHNAWEJRP-UHFFFAOYSA-N
XLogP1.27
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 51.27
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 azane;pent-4-en-2-ol?
The IUPAC name of azane;pent-4-en-2-ol (CID 22149561) is azane;pent-4-en-2-ol.
What is the SMILES notation for azane;pent-4-en-2-ol?
The canonical SMILES for azane;pent-4-en-2-ol is C=CCC(C)O.N.N.
What is the InChIKey of azane;pent-4-en-2-ol?
The InChIKey is LVKMVHHNAWEJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.2H3N/c1-3-4-5(2)6;;/h3,5-6H,1,4H2,2H3;2*1H3.
What are the key properties of azane;pent-4-en-2-ol?
azane;pent-4-en-2-ol has a molecular weight of 120.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pent-4-en-2-ol is sourced from PubChem (CID 22149561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).