2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide

C10H17NO3 — CID 3081324

IUPAC2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)O.C=CC(=O)NC(C)C
InChIInChI=1S/C6H11NO.C4H6O2/c1-4-6(8)7-5(2)3;1-3(2)4(5)6/h4-5H,1H2,2-3H3,(H,7,8);1H2,2H3,(H,5,6)
InChIKeyBGJOTKHBFYMJST-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.34
Rot. Bonds3

About 2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide

2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide (PubChem CID 3081324) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide
PubChem CID3081324
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)O.C=CC(=O)NC(C)C
InChIInChI=1S/C6H11NO.C4H6O2/c1-4-6(8)7-5(2)3;1-3(2)4(5)6/h4-5H,1H2,2-3H3,(H,7,8);1H2,2H3,(H,5,6)
InChIKeyBGJOTKHBFYMJST-UHFFFAOYSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide (CID 3081324) is 2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide is C=C(C)C(=O)O.C=CC(=O)NC(C)C.
What is the InChIKey of 2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide?
The InChIKey is BGJOTKHBFYMJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C4H6O2/c1-4-6(8)7-5(2)3;1-3(2)4(5)6/h4-5H,1H2,2-3H3,(H,7,8);1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide?
2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide has a molecular weight of 199.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 3081324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).