1-chloro-3-hydrazinylpropan-2-ol

C3H9ClN2O — CID 156701816

IUPAC1-chloro-3-hydrazinylpropan-2-ol
SMILESNNCC(O)CCl
InChIInChI=1S/C3H9ClN2O/c4-1-3(7)2-6-5/h3,6-7H,1-2,5H2
InChIKeyQATNAUOFSPXSNA-UHFFFAOYSA-N
MW124.57 g/mol
LogP-0.95
Rot. Bonds3

About 1-chloro-3-hydrazinylpropan-2-ol

1-chloro-3-hydrazinylpropan-2-ol (PubChem CID 156701816) has the molecular formula C3H9ClN2O and a molecular weight of 124.57 g/mol. Its IUPAC name is 1-chloro-3-hydrazinylpropan-2-ol.

Molecular Properties

Compound Name1-chloro-3-hydrazinylpropan-2-ol
PubChem CID156701816
Molecular FormulaC3H9ClN2O
Molecular Weight124.57 g/mol
Exact Mass124.04
IUPAC Name1-chloro-3-hydrazinylpropan-2-ol
SMILESNNCC(O)CCl
InChIInChI=1S/C3H9ClN2O/c4-1-3(7)2-6-5/h3,6-7H,1-2,5H2
InChIKeyQATNAUOFSPXSNA-UHFFFAOYSA-N
XLogP-0.95
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.57
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-hydrazinylpropan-2-ol?
The IUPAC name of 1-chloro-3-hydrazinylpropan-2-ol (CID 156701816) is 1-chloro-3-hydrazinylpropan-2-ol.
What is the SMILES notation for 1-chloro-3-hydrazinylpropan-2-ol?
The canonical SMILES for 1-chloro-3-hydrazinylpropan-2-ol is NNCC(O)CCl.
What is the InChIKey of 1-chloro-3-hydrazinylpropan-2-ol?
The InChIKey is QATNAUOFSPXSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9ClN2O/c4-1-3(7)2-6-5/h3,6-7H,1-2,5H2.
What are the key properties of 1-chloro-3-hydrazinylpropan-2-ol?
1-chloro-3-hydrazinylpropan-2-ol has a molecular weight of 124.57 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-hydrazinylpropan-2-ol is sourced from PubChem (CID 156701816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).