N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate

C9H15NO4 — CID 158189106

IUPACN-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate
SMILESC=C(C)C(=O)NCO.C=CC(=O)OC
InChIInChI=1S/C5H9NO2.C4H6O2/c1-4(2)5(8)6-3-7;1-3-4(5)6-2/h7H,1,3H2,2H3,(H,6,8);3H,1H2,2H3
InChIKeyFZNFHOVVWSGDPA-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.03
Rot. Bonds3

About N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate

N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate (PubChem CID 158189106) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate.

Molecular Properties

Compound NameN-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate
PubChem CID158189106
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC NameN-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate
SMILESC=C(C)C(=O)NCO.C=CC(=O)OC
InChIInChI=1S/C5H9NO2.C4H6O2/c1-4(2)5(8)6-3-7;1-3-4(5)6-2/h7H,1,3H2,2H3,(H,6,8);3H,1H2,2H3
InChIKeyFZNFHOVVWSGDPA-UHFFFAOYSA-N
XLogP-0.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 175208053
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formaldehyde;bis(methyl prop-2-enoate)
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chloroethene;N-(hydroxymethyl)prop-2-enamide;methyl prop-2-enoate;prop-2-enoic acid
CID 6455007
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CID 160519545
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ethane-1,1,2-triol;methyl prop-2-enoate
CID 161139379
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
dimethoxymethane;methyl prop-2-enoate
CID 162245850
ethane;methyl 2-methylprop-2-enoate;methyl N-(2-oxopropyl)carbamate;methyl prop-2-enoate;pentane-2,4-dione
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2-(2-hydroxyethoxy)ethanol;bis(methyl prop-2-enoate)
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CID 174578648

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate?
The IUPAC name of N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate (CID 158189106) is N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate.
What is the SMILES notation for N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate?
The canonical SMILES for N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate is C=C(C)C(=O)NCO.C=CC(=O)OC.
What is the InChIKey of N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate?
The InChIKey is FZNFHOVVWSGDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C4H6O2/c1-4(2)5(8)6-3-7;1-3-4(5)6-2/h7H,1,3H2,2H3,(H,6,8);3H,1H2,2H3.
What are the key properties of N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate?
N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate has a molecular weight of 201.22 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate is sourced from PubChem (CID 158189106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).