N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide

C6H11NO3 — CID 87731814

IUPACN-(1,1-dihydroxyethyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C(C)(O)O
InChIInChI=1S/C6H11NO3/c1-4-5(8)7(3)6(2,9)10/h4,9-10H,1H2,2-3H3
InChIKeyWATCDMZZAWAGMY-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.71
Rot. Bonds2

About N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide

N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide (PubChem CID 87731814) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1,1-dihydroxyethyl)-N-methylprop-2-enamide
PubChem CID87731814
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC NameN-(1,1-dihydroxyethyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C(C)(O)O
InChIInChI=1S/C6H11NO3/c1-4-5(8)7(3)6(2,9)10/h4,9-10H,1H2,2-3H3
InChIKeyWATCDMZZAWAGMY-UHFFFAOYSA-N
XLogP-0.71
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide?
The IUPAC name of N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide (CID 87731814) is N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide?
The canonical SMILES for N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide is C=CC(=O)N(C)C(C)(O)O.
What is the InChIKey of N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide?
The InChIKey is WATCDMZZAWAGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4-5(8)7(3)6(2,9)10/h4,9-10H,1H2,2-3H3.
What are the key properties of N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide?
N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide has a molecular weight of 145.16 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide is sourced from PubChem (CID 87731814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).