1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide

C12H20N2O5 — CID 88701752

IUPAC1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide
SMILESC=C(C)C(N)=O.C=CC(=O)OC(C)O.C=CC(N)=O
InChIInChI=1S/C5H8O3.C4H7NO.C3H5NO/c1-3-5(7)8-4(2)6;1-3(2)4(5)6;1-2-3(4)5/h3-4,6H,1H2,2H3;1H2,2H3,(H2,5,6);2H,1H2,(H2,4,5)
InChIKeyQXZQDDRLMVHMKS-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.24
Rot. Bonds4

About 1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide

1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide (PubChem CID 88701752) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide.

Molecular Properties

Compound Name1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide
PubChem CID88701752
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide
SMILESC=C(C)C(N)=O.C=CC(=O)OC(C)O.C=CC(N)=O
InChIInChI=1S/C5H8O3.C4H7NO.C3H5NO/c1-3-5(7)8-4(2)6;1-3(2)4(5)6;1-2-3(4)5/h3-4,6H,1H2,2H3;1H2,2H3,(H2,5,6);2H,1H2,(H2,4,5)
InChIKeyQXZQDDRLMVHMKS-UHFFFAOYSA-N
XLogP-0.24
TPSA132.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid
CID 157463819
3,3-dihydroxy-2-methylpropanoic acid;1-hydroxyethyl prop-2-enoate
CID 174945247
1-hydroxyethyl prop-2-enoate;N-(3-hydroxyprop-1-en-2-yl)formamide
CID 174878591
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide
CID 160685557
ethenol;2-methylprop-2-enamide
CID 87880771
(2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate
CID 87299763
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
acetamide;prop-2-enamide
CID 158566181
prop-2-enamide;ruthenium
CID 90254548
2-methylprop-2-enoic acid;prop-2-enamide;prop-2-enyl prop-2-enoate
CID 87208594
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide
CID 19070332

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide?
The IUPAC name of 1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide (CID 88701752) is 1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide.
What is the SMILES notation for 1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide?
The canonical SMILES for 1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide is C=C(C)C(N)=O.C=CC(=O)OC(C)O.C=CC(N)=O.
What is the InChIKey of 1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide?
The InChIKey is QXZQDDRLMVHMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C4H7NO.C3H5NO/c1-3-5(7)8-4(2)6;1-3(2)4(5)6;1-2-3(4)5/h3-4,6H,1H2,2H3;1H2,2H3,(H2,5,6);2H,1H2,(H2,4,5).
What are the key properties of 1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide?
1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide has a molecular weight of 272.30 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide is sourced from PubChem (CID 88701752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).