N'-(prop-2-enoylamino)prop-2-enehydrazide

C6H9N3O2 — CID 19028369

IUPACN'-(prop-2-enoylamino)prop-2-enehydrazide
SMILESC=CC(=O)NNNC(=O)C=C
InChIInChI=1S/C6H9N3O2/c1-3-5(10)7-9-8-6(11)4-2/h3-4,9H,1-2H2,(H,7,10)(H,8,11)
InChIKeyOLGGRMLRAMDPHZ-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.99
Rot. Bonds4

About N'-(prop-2-enoylamino)prop-2-enehydrazide

N'-(prop-2-enoylamino)prop-2-enehydrazide (PubChem CID 19028369) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N'-(prop-2-enoylamino)prop-2-enehydrazide.

Molecular Properties

Compound NameN'-(prop-2-enoylamino)prop-2-enehydrazide
PubChem CID19028369
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN'-(prop-2-enoylamino)prop-2-enehydrazide
SMILESC=CC(=O)NNNC(=O)C=C
InChIInChI=1S/C6H9N3O2/c1-3-5(10)7-9-8-6(11)4-2/h3-4,9H,1-2H2,(H,7,10)(H,8,11)
InChIKeyOLGGRMLRAMDPHZ-UHFFFAOYSA-N
XLogP-0.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-methylprop-2-enehydrazide
CID 19086393
N-hydroxyprop-2-enamide;hydrochloride
CID 87262131
N'-[2-[2-(2-prop-2-enoylhydrazinyl)ethyldisulfanyl]ethyl]prop-2-enehydrazide
CID 175905331
2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid
CID 152650647
methanol;bis(N-methylprop-2-enamide)
CID 175170531
N'-phenylprop-2-enehydrazide
CID 21179187
N'-(1-hydroxypropyl)prop-2-enehydrazide
CID 140549480
N'-(4-hydroxybutyl)prop-2-enehydrazide
CID 87129975
N-phosphorosoprop-2-enamide
CID 87115705
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
CID 173161904
CID 173161904
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914

Frequently Asked Questions

What is the IUPAC name of N'-(prop-2-enoylamino)prop-2-enehydrazide?
The IUPAC name of N'-(prop-2-enoylamino)prop-2-enehydrazide (CID 19028369) is N'-(prop-2-enoylamino)prop-2-enehydrazide.
What is the SMILES notation for N'-(prop-2-enoylamino)prop-2-enehydrazide?
The canonical SMILES for N'-(prop-2-enoylamino)prop-2-enehydrazide is C=CC(=O)NNNC(=O)C=C.
What is the InChIKey of N'-(prop-2-enoylamino)prop-2-enehydrazide?
The InChIKey is OLGGRMLRAMDPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-5(10)7-9-8-6(11)4-2/h3-4,9H,1-2H2,(H,7,10)(H,8,11).
What are the key properties of N'-(prop-2-enoylamino)prop-2-enehydrazide?
N'-(prop-2-enoylamino)prop-2-enehydrazide has a molecular weight of 155.16 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(prop-2-enoylamino)prop-2-enehydrazide is sourced from PubChem (CID 19028369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).