2-methylprop-2-enamide;prop-2-enoyl chloride

C7H10ClNO2 — CID 174876854

IUPAC2-methylprop-2-enamide;prop-2-enoyl chloride
SMILESC=C(C)C(N)=O.C=CC(=O)Cl
InChIInChI=1S/C4H7NO.C3H3ClO/c1-3(2)4(5)6;1-2-3(4)5/h1H2,2H3,(H2,5,6);2H,1H2
InChIKeyBPZSSINXXZDKPT-UHFFFAOYSA-N
MW175.61 g/mol
LogP0.99
Rot. Bonds2

About 2-methylprop-2-enamide;prop-2-enoyl chloride

2-methylprop-2-enamide;prop-2-enoyl chloride (PubChem CID 174876854) has the molecular formula C7H10ClNO2 and a molecular weight of 175.61 g/mol. Its IUPAC name is 2-methylprop-2-enamide;prop-2-enoyl chloride.

Molecular Properties

Compound Name2-methylprop-2-enamide;prop-2-enoyl chloride
PubChem CID174876854
Molecular FormulaC7H10ClNO2
Molecular Weight175.61 g/mol
Exact Mass175.04
IUPAC Name2-methylprop-2-enamide;prop-2-enoyl chloride
SMILESC=C(C)C(N)=O.C=CC(=O)Cl
InChIInChI=1S/C4H7NO.C3H3ClO/c1-3(2)4(5)6;1-2-3(4)5/h1H2,2H3,(H2,5,6);2H,1H2
InChIKeyBPZSSINXXZDKPT-UHFFFAOYSA-N
XLogP0.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethenol;2-methylprop-2-enamide
CID 87880771
but-2-enoyl chloride;2-methylprop-2-enamide
CID 174791232
2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid
CID 157463819
2-methylprop-2-enamide;hydrate
CID 88749193
prop-2-enoyl chloride
CID 23168843
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
CID 159159357
bis(2-methylprop-2-enamide);phosphoric acid
CID 87675275
sodium;2-methylprop-2-enamide;propane
CID 159451329
acetic acid;2-chlorobuta-1,3-diene
CID 87071838
dichloromethane;prop-2-enoyl chloride
CID 146265417

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enamide;prop-2-enoyl chloride?
The IUPAC name of 2-methylprop-2-enamide;prop-2-enoyl chloride (CID 174876854) is 2-methylprop-2-enamide;prop-2-enoyl chloride.
What is the SMILES notation for 2-methylprop-2-enamide;prop-2-enoyl chloride?
The canonical SMILES for 2-methylprop-2-enamide;prop-2-enoyl chloride is C=C(C)C(N)=O.C=CC(=O)Cl.
What is the InChIKey of 2-methylprop-2-enamide;prop-2-enoyl chloride?
The InChIKey is BPZSSINXXZDKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H3ClO/c1-3(2)4(5)6;1-2-3(4)5/h1H2,2H3,(H2,5,6);2H,1H2.
What are the key properties of 2-methylprop-2-enamide;prop-2-enoyl chloride?
2-methylprop-2-enamide;prop-2-enoyl chloride has a molecular weight of 175.61 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enamide;prop-2-enoyl chloride is sourced from PubChem (CID 174876854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).