N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate

C5H11NO3 — CID 21400156

IUPACN-(hydroxymethyl)-2-methylprop-2-enamide;hydrate
SMILESC=C(C)C(=O)NCO.O
InChIInChI=1S/C5H9NO2.H2O/c1-4(2)5(8)6-3-7;/h7H,1,3H2,2H3,(H,6,8);1H2
InChIKeyDCVWXIMRTWZOCL-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.20
Rot. Bonds2

About N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate

N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate (PubChem CID 21400156) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate.

Molecular Properties

Compound NameN-(hydroxymethyl)-2-methylprop-2-enamide;hydrate
PubChem CID21400156
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC NameN-(hydroxymethyl)-2-methylprop-2-enamide;hydrate
SMILESC=C(C)C(=O)NCO.O
InChIInChI=1S/C5H9NO2.H2O/c1-4(2)5(8)6-3-7;/h7H,1,3H2,2H3,(H,6,8);1H2
InChIKeyDCVWXIMRTWZOCL-UHFFFAOYSA-N
XLogP-1.20
TPSA80.83 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methylolmethacrylamide
CID 70208
2-Propenamide, N-(methoxymethyl)-2-methyl-
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N-Methylmethacrylamide
CID 77495
N-(ethoxymethyl)-2-methylprop-2-enamide
CID 19069512
2-Methyl-N-(propoxymethyl)prop-2-enamide
CID 22141900
N,N-bis(hydroxymethyl)-2-methylprop-2-enamide
CID 13710293
2-Methyl-N-(2-methylacryloylaminomethoxymethyl)acrylamide
CID 15120475
N-(hydroxymethyl)-2-methylprop-2-enamide;methoxymethane
CID 18762091
N'-(hydroxymethyl)-2-methylidenepropanediamide
CID 19799962
N-(hydroxymethyl)prop-2-enamide;2-methylprop-2-enamide
CID 20223348
N-(hydroxymethyl)-N,2-dimethylprop-2-enamide
CID 20469411
N,2-dimethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide
CID 20481825

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate?
The IUPAC name of N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate (CID 21400156) is N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate.
What is the SMILES notation for N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate?
The canonical SMILES for N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate is C=C(C)C(=O)NCO.O.
What is the InChIKey of N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate?
The InChIKey is DCVWXIMRTWZOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.H2O/c1-4(2)5(8)6-3-7;/h7H,1,3H2,2H3,(H,6,8);1H2.
What are the key properties of N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate?
N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate has a molecular weight of 133.15 g/mol, XLogP of -1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate is sourced from PubChem (CID 21400156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).