O-[(Z)-3-chloroprop-2-enyl]hydroxylamine

C3H6ClNO — CID 13282637

IUPACO-[(Z)-3-chloroprop-2-enyl]hydroxylamine
SMILESNOC/C=C\Cl
InChIInChI=1S/C3H6ClNO/c4-2-1-3-6-5/h1-2H,3,5H2/b2-1-
InChIKeyXGNHRRHYGMFKAQ-UPHRSURJSA-N
MW107.54 g/mol
LogP0.63
Rot. Bonds2

About O-[(Z)-3-chloroprop-2-enyl]hydroxylamine

O-[(Z)-3-chloroprop-2-enyl]hydroxylamine (PubChem CID 13282637) has the molecular formula C3H6ClNO and a molecular weight of 107.54 g/mol. Its IUPAC name is O-[(Z)-3-chloroprop-2-enyl]hydroxylamine.

Molecular Properties

Compound NameO-[(Z)-3-chloroprop-2-enyl]hydroxylamine
PubChem CID13282637
Molecular FormulaC3H6ClNO
Molecular Weight107.54 g/mol
Exact Mass107.01
IUPAC NameO-[(Z)-3-chloroprop-2-enyl]hydroxylamine
SMILESNOC/C=C\Cl
InChIInChI=1S/C3H6ClNO/c4-2-1-3-6-5/h1-2H,3,5H2/b2-1-
InChIKeyXGNHRRHYGMFKAQ-UPHRSURJSA-N
XLogP0.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.54
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-chloroprop-2-enyl] formate
CID 19841665
[(Z)-3-chloroprop-2-enyl] prop-2-enoate
CID 5354525
3-chloroprop-2-enyl trifluoromethanesulfonate
CID 87864417
N-[(E)-3-chloroprop-2-enoxy]acetamide
CID 10888077
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
[(E)-3-chloroprop-2-enyl] 2-phenylacetate
CID 5353051
4-chloro-5-[(E)-3-chloroprop-2-enoxy]-2-fluoroaniline
CID 139226452
[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 114318333
O-[(E)-4-phenylbut-2-enyl]hydroxylamine
CID 14647066
3-(3-chloroprop-2-enoxy)thiophene-2-carboxylic acid
CID 77012059
1-chloro-4-(3-chloroprop-2-enoxy)benzene
CID 4518340
[2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine
CID 77104703

Frequently Asked Questions

What is the IUPAC name of O-[(Z)-3-chloroprop-2-enyl]hydroxylamine?
The IUPAC name of O-[(Z)-3-chloroprop-2-enyl]hydroxylamine (CID 13282637) is O-[(Z)-3-chloroprop-2-enyl]hydroxylamine.
What is the SMILES notation for O-[(Z)-3-chloroprop-2-enyl]hydroxylamine?
The canonical SMILES for O-[(Z)-3-chloroprop-2-enyl]hydroxylamine is NOC/C=C\Cl.
What is the InChIKey of O-[(Z)-3-chloroprop-2-enyl]hydroxylamine?
The InChIKey is XGNHRRHYGMFKAQ-UPHRSURJSA-N. The full InChI is InChI=1S/C3H6ClNO/c4-2-1-3-6-5/h1-2H,3,5H2/b2-1-.
What are the key properties of O-[(Z)-3-chloroprop-2-enyl]hydroxylamine?
O-[(Z)-3-chloroprop-2-enyl]hydroxylamine has a molecular weight of 107.54 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(Z)-3-chloroprop-2-enyl]hydroxylamine is sourced from PubChem (CID 13282637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).