N'-(3-hydroxypropyl)prop-2-enehydrazide

C6H12N2O2 — CID 87129978

IUPACN'-(3-hydroxypropyl)prop-2-enehydrazide
SMILESC=CC(=O)NNCCCO
InChIInChI=1S/C6H12N2O2/c1-2-6(10)8-7-4-3-5-9/h2,7,9H,1,3-5H2,(H,8,10)
InChIKeyHNDCGOSACQLDBS-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.82
Rot. Bonds5

About N'-(3-hydroxypropyl)prop-2-enehydrazide

N'-(3-hydroxypropyl)prop-2-enehydrazide (PubChem CID 87129978) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N'-(3-hydroxypropyl)prop-2-enehydrazide.

Molecular Properties

Compound NameN'-(3-hydroxypropyl)prop-2-enehydrazide
PubChem CID87129978
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN'-(3-hydroxypropyl)prop-2-enehydrazide
SMILESC=CC(=O)NNCCCO
InChIInChI=1S/C6H12N2O2/c1-2-6(10)8-7-4-3-5-9/h2,7,9H,1,3-5H2,(H,8,10)
InChIKeyHNDCGOSACQLDBS-UHFFFAOYSA-N
XLogP-0.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 N'-(3-hydroxypropyl)prop-2-enehydrazide?
The IUPAC name of N'-(3-hydroxypropyl)prop-2-enehydrazide (CID 87129978) is N'-(3-hydroxypropyl)prop-2-enehydrazide.
What is the SMILES notation for N'-(3-hydroxypropyl)prop-2-enehydrazide?
The canonical SMILES for N'-(3-hydroxypropyl)prop-2-enehydrazide is C=CC(=O)NNCCCO.
What is the InChIKey of N'-(3-hydroxypropyl)prop-2-enehydrazide?
The InChIKey is HNDCGOSACQLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-6(10)8-7-4-3-5-9/h2,7,9H,1,3-5H2,(H,8,10).
What are the key properties of N'-(3-hydroxypropyl)prop-2-enehydrazide?
N'-(3-hydroxypropyl)prop-2-enehydrazide has a molecular weight of 144.17 g/mol, XLogP of -0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxypropyl)prop-2-enehydrazide is sourced from PubChem (CID 87129978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).