N-pent-1-yn-3-yloxymethanimine;hydrochloride

C6H10ClNO — CID 174370675

IUPACN-pent-1-yn-3-yloxymethanimine;hydrochloride
SMILESC#CC(CC)ON=C.Cl
InChIInChI=1S/C6H9NO.ClH/c1-4-6(5-2)8-7-3;/h1,6H,3,5H2,2H3;1H
InChIKeyNRODJACSDRZTOO-UHFFFAOYSA-N
MW147.60 g/mol
LogP1.45
Rot. Bonds3

About N-pent-1-yn-3-yloxymethanimine;hydrochloride

N-pent-1-yn-3-yloxymethanimine;hydrochloride (PubChem CID 174370675) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is N-pent-1-yn-3-yloxymethanimine;hydrochloride.

Molecular Properties

Compound NameN-pent-1-yn-3-yloxymethanimine;hydrochloride
PubChem CID174370675
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC NameN-pent-1-yn-3-yloxymethanimine;hydrochloride
SMILESC#CC(CC)ON=C.Cl
InChIInChI=1S/C6H9NO.ClH/c1-4-6(5-2)8-7-3;/h1,6H,3,5H2,2H3;1H
InChIKeyNRODJACSDRZTOO-UHFFFAOYSA-N
XLogP1.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yloxymethanimine;hydrochloride?
The IUPAC name of N-pent-1-yn-3-yloxymethanimine;hydrochloride (CID 174370675) is N-pent-1-yn-3-yloxymethanimine;hydrochloride.
What is the SMILES notation for N-pent-1-yn-3-yloxymethanimine;hydrochloride?
The canonical SMILES for N-pent-1-yn-3-yloxymethanimine;hydrochloride is C#CC(CC)ON=C.Cl.
What is the InChIKey of N-pent-1-yn-3-yloxymethanimine;hydrochloride?
The InChIKey is NRODJACSDRZTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.ClH/c1-4-6(5-2)8-7-3;/h1,6H,3,5H2,2H3;1H.
What are the key properties of N-pent-1-yn-3-yloxymethanimine;hydrochloride?
N-pent-1-yn-3-yloxymethanimine;hydrochloride has a molecular weight of 147.60 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yloxymethanimine;hydrochloride is sourced from PubChem (CID 174370675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).