methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide

C14H25NO3 — CID 158640879

IUPACmethyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)C.C=C(C)C(=O)OC.C=CC
InChIInChI=1S/C6H11NO.C5H8O2.C3H6/c1-5(2)6(8)7(3)4;1-4(2)5(6)7-3;1-3-2/h1H2,2-4H3;1H2,2-3H3;3H,1H2,2H3
InChIKeyIAJDEJUMRZOKDU-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.58
Rot. Bonds2

About methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide

methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide (PubChem CID 158640879) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide
PubChem CID158640879
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)C.C=C(C)C(=O)OC.C=CC
InChIInChI=1S/C6H11NO.C5H8O2.C3H6/c1-5(2)6(8)7(3)4;1-4(2)5(6)7-3;1-3-2/h1H2,2-4H3;1H2,2-3H3;3H,1H2,2H3
InChIKeyIAJDEJUMRZOKDU-UHFFFAOYSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 159008219
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methyl 2-methylprop-2-enoate;phosphane
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CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
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2-chlorobuta-1,3-diene;methyl 2-methylprop-2-enoate
CID 86748634
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
methyl 2-methylprop-2-enoate;tetrakis(prop-2-enoate);silicon(4+)
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CID 22003389

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide?
The IUPAC name of methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide (CID 158640879) is methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide.
What is the SMILES notation for methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide?
The canonical SMILES for methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide is C=C(C)C(=O)N(C)C.C=C(C)C(=O)OC.C=CC.
What is the InChIKey of methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide?
The InChIKey is IAJDEJUMRZOKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C5H8O2.C3H6/c1-5(2)6(8)7(3)4;1-4(2)5(6)7-3;1-3-2/h1H2,2-4H3;1H2,2-3H3;3H,1H2,2H3.
What are the key properties of methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide?
methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide has a molecular weight of 255.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide is sourced from PubChem (CID 158640879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).