3-[2-(2-hydroxyethyl)hydrazinyl]propanal

C5H12N2O2 — CID 163623458

IUPAC3-[2-(2-hydroxyethyl)hydrazinyl]propanal
SMILESO=CCCNNCCO
InChIInChI=1S/C5H12N2O2/c8-4-1-2-6-7-3-5-9/h4,6-7,9H,1-3,5H2
InChIKeyHQCKWLPEKUGPIF-UHFFFAOYSA-N
MW132.16 g/mol
LogP-1.34
Rot. Bonds6

About 3-[2-(2-hydroxyethyl)hydrazinyl]propanal

3-[2-(2-hydroxyethyl)hydrazinyl]propanal (PubChem CID 163623458) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)hydrazinyl]propanal.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)hydrazinyl]propanal
PubChem CID163623458
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name3-[2-(2-hydroxyethyl)hydrazinyl]propanal
SMILESO=CCCNNCCO
InChIInChI=1S/C5H12N2O2/c8-4-1-2-6-7-3-5-9/h4,6-7,9H,1-3,5H2
InChIKeyHQCKWLPEKUGPIF-UHFFFAOYSA-N
XLogP-1.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxypropanal;hydrochloride
CID 87570947
N-(2-hydroxyethyl)formamide;methane
CID 157415212
2-[2-(2-aminoethyl)hydrazinyl]ethanol
CID 87694422
25-hydroxypentacosanal
CID 90897330
34-hydroxytetratriacontanal
CID 123873694
17-hydroxyheptadecanal
CID 134210784
2-(methylamino)ethanol;N-methyl-6-oxohexanamide
CID 155596118
2-(2-hydroxyethylamino)ethanol;sulfur dioxide
CID 6454530
carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
but-2-enedioic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 173323087
3-[[(Z)-prop-1-enyl]amino]propanal
CID 143480247
ethane-1,2-diol;pentanal
CID 87390280

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)hydrazinyl]propanal?
The IUPAC name of 3-[2-(2-hydroxyethyl)hydrazinyl]propanal (CID 163623458) is 3-[2-(2-hydroxyethyl)hydrazinyl]propanal.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)hydrazinyl]propanal?
The canonical SMILES for 3-[2-(2-hydroxyethyl)hydrazinyl]propanal is O=CCCNNCCO.
What is the InChIKey of 3-[2-(2-hydroxyethyl)hydrazinyl]propanal?
The InChIKey is HQCKWLPEKUGPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c8-4-1-2-6-7-3-5-9/h4,6-7,9H,1-3,5H2.
What are the key properties of 3-[2-(2-hydroxyethyl)hydrazinyl]propanal?
3-[2-(2-hydroxyethyl)hydrazinyl]propanal has a molecular weight of 132.16 g/mol, XLogP of -1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)hydrazinyl]propanal is sourced from PubChem (CID 163623458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).