methyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide

C11H19NO3 — CID 87918426

IUPACmethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)OC.C=CC(=O)NC(C)C
InChIInChI=1S/C6H11NO.C5H8O2/c1-4-6(8)7-5(2)3;1-4(2)5(6)7-3/h4-5H,1H2,2-3H3,(H,7,8);1H2,2-3H3
InChIKeyRLIDCCFKNOOBEY-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.43
Rot. Bonds3

About methyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide

methyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide (PubChem CID 87918426) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
PubChem CID87918426
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)OC.C=CC(=O)NC(C)C
InChIInChI=1S/C6H11NO.C5H8O2/c1-4-6(8)7-5(2)3;1-4(2)5(6)7-3/h4-5H,1H2,2-3H3,(H,7,8);1H2,2-3H3
InChIKeyRLIDCCFKNOOBEY-UHFFFAOYSA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide;prop-2-enoic acid
CID 153949
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CID 3081324
poly(N-isopropylacrylamide-co-butyl methacrylate)
CID 3082631
butyl prop-2-enoate;N-propan-2-ylprop-2-enamide
CID 87334080
butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
CID 87343876
N-tert-butylprop-2-enamide;methyl 2-methylprop-2-enoate
CID 88285334
2-Methacrylamidopropyl methacrylate
CID 90776151
2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
CID 137481221
2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
CID 160992876
methyl prop-2-enoate;N-propan-2-ylprop-2-enamide
CID 161929194
2-(Acryloylamino)ethyl 2-methylprop-2-enoate
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2-(2-Methylprop-2-enoylamino)ethyl prop-2-enoate
CID 15312509

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The IUPAC name of methyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide (CID 87918426) is methyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for methyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The canonical SMILES for methyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide is C=C(C)C(=O)OC.C=CC(=O)NC(C)C.
What is the InChIKey of methyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The InChIKey is RLIDCCFKNOOBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C5H8O2/c1-4-6(8)7-5(2)3;1-4(2)5(6)7-3/h4-5H,1H2,2-3H3,(H,7,8);1H2,2-3H3.
What are the key properties of methyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
methyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide has a molecular weight of 213.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 87918426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).