N-(1-hydroxyethenyl)-2-methylprop-2-enamide

C6H9NO2 — CID 174577557

IUPACN-(1-hydroxyethenyl)-2-methylprop-2-enamide
SMILESC=C(O)NC(=O)C(=C)C
InChIInChI=1S/C6H9NO2/c1-4(2)6(9)7-5(3)8/h8H,1,3H2,2H3,(H,7,9)
InChIKeyUTXOMIILNBYROZ-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.71
Rot. Bonds2

About N-(1-hydroxyethenyl)-2-methylprop-2-enamide

N-(1-hydroxyethenyl)-2-methylprop-2-enamide (PubChem CID 174577557) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is N-(1-hydroxyethenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxyethenyl)-2-methylprop-2-enamide
PubChem CID174577557
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC NameN-(1-hydroxyethenyl)-2-methylprop-2-enamide
SMILESC=C(O)NC(=O)C(=C)C
InChIInChI=1S/C6H9NO2/c1-4(2)6(9)7-5(3)8/h8H,1,3H2,2H3,(H,7,9)
InChIKeyUTXOMIILNBYROZ-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
CID 14817903
N-ethanethioyl-2-methylprop-2-enamide
CID 89169552
2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide
CID 154307260
(E)-3-(2-methylprop-2-enoylamino)but-2-enoic acid
CID 88902776
2,3-dimethyl-N-(2-methylprop-2-enoyl)but-2-enamide
CID 175801770
N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide
CID 20633703
N,2-dimethylprop-2-enamide;ethane
CID 142291054
3-ethoxy-3-hydroxy-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 174962004
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoylcarbamoyloxymethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl N-(2-methylprop-2-enoyl)carbamate
CID 118477482
methanolate;bis(2-methylprop-2-enoic acid);titanium(2+)
CID 18781400
N-methylmethanamine;bis(2-methylprop-2-enoic acid)
CID 175091080
2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid
CID 18937473

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethenyl)-2-methylprop-2-enamide?
The IUPAC name of N-(1-hydroxyethenyl)-2-methylprop-2-enamide (CID 174577557) is N-(1-hydroxyethenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1-hydroxyethenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1-hydroxyethenyl)-2-methylprop-2-enamide is C=C(O)NC(=O)C(=C)C.
What is the InChIKey of N-(1-hydroxyethenyl)-2-methylprop-2-enamide?
The InChIKey is UTXOMIILNBYROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4(2)6(9)7-5(3)8/h8H,1,3H2,2H3,(H,7,9).
What are the key properties of N-(1-hydroxyethenyl)-2-methylprop-2-enamide?
N-(1-hydroxyethenyl)-2-methylprop-2-enamide has a molecular weight of 127.14 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 174577557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).