N'-(1-hydroxypropyl)prop-2-enehydrazide

C6H12N2O2 — CID 140549480

IUPACN'-(1-hydroxypropyl)prop-2-enehydrazide
SMILESC=CC(=O)NNC(O)CC
InChIInChI=1S/C6H12N2O2/c1-3-5(9)7-8-6(10)4-2/h3,6,8,10H,1,4H2,2H3,(H,7,9)
InChIKeyBWPHEBFVYWDSES-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.48
Rot. Bonds4

About N'-(1-hydroxypropyl)prop-2-enehydrazide

N'-(1-hydroxypropyl)prop-2-enehydrazide (PubChem CID 140549480) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N'-(1-hydroxypropyl)prop-2-enehydrazide.

Molecular Properties

Compound NameN'-(1-hydroxypropyl)prop-2-enehydrazide
PubChem CID140549480
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN'-(1-hydroxypropyl)prop-2-enehydrazide
SMILESC=CC(=O)NNC(O)CC
InChIInChI=1S/C6H12N2O2/c1-3-5(9)7-8-6(10)4-2/h3,6,8,10H,1,4H2,2H3,(H,7,9)
InChIKeyBWPHEBFVYWDSES-UHFFFAOYSA-N
XLogP-0.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid
CID 152650647
N-(1,2-dihydroxybutyl)prop-2-enamide
CID 174879831
N-(4-hydroxyhexan-3-yl)prop-2-enamide
CID 176975317
N'-methylprop-2-enehydrazide
CID 19086393
N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide
CID 155302110
N'-(prop-2-enoylamino)prop-2-enehydrazide
CID 19028369
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
N-[ethoxy(hydroxy)methyl]prop-2-enamide
CID 54426891
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide
CID 88844465
N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide
CID 87997510

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxypropyl)prop-2-enehydrazide?
The IUPAC name of N'-(1-hydroxypropyl)prop-2-enehydrazide (CID 140549480) is N'-(1-hydroxypropyl)prop-2-enehydrazide.
What is the SMILES notation for N'-(1-hydroxypropyl)prop-2-enehydrazide?
The canonical SMILES for N'-(1-hydroxypropyl)prop-2-enehydrazide is C=CC(=O)NNC(O)CC.
What is the InChIKey of N'-(1-hydroxypropyl)prop-2-enehydrazide?
The InChIKey is BWPHEBFVYWDSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-5(9)7-8-6(10)4-2/h3,6,8,10H,1,4H2,2H3,(H,7,9).
What are the key properties of N'-(1-hydroxypropyl)prop-2-enehydrazide?
N'-(1-hydroxypropyl)prop-2-enehydrazide has a molecular weight of 144.17 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxypropyl)prop-2-enehydrazide is sourced from PubChem (CID 140549480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).