(4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide

C16H23N3O2 — CID 157367641

IUPAC(4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide
SMILESC=C(C)C(N)=O.C=CC(N)=O.C=Cc1ccc(CN)cc1
InChIInChI=1S/C9H11N.C4H7NO.C3H5NO/c1-2-8-3-5-9(7-10)6-4-8;1-3(2)4(5)6;1-2-3(4)5/h2-6H,1,7,10H2;1H2,2H3,(H2,5,6);2H,1H2,(H2,4,5)
InChIKeyBJJMFINCUJXUAV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.49
Rot. Bonds4

About (4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide

(4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide (PubChem CID 157367641) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide.

Molecular Properties

Compound Name(4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide
PubChem CID157367641
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide
SMILESC=C(C)C(N)=O.C=CC(N)=O.C=Cc1ccc(CN)cc1
InChIInChI=1S/C9H11N.C4H7NO.C3H5NO/c1-2-8-3-5-9(7-10)6-4-8;1-3(2)4(5)6;1-2-3(4)5/h2-6H,1,7,10H2;1H2,2H3,(H2,5,6);2H,1H2,(H2,4,5)
InChIKeyBJJMFINCUJXUAV-UHFFFAOYSA-N
XLogP1.49
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide?
The IUPAC name of (4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide (CID 157367641) is (4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide.
What is the SMILES notation for (4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide?
The canonical SMILES for (4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide is C=C(C)C(N)=O.C=CC(N)=O.C=Cc1ccc(CN)cc1.
What is the InChIKey of (4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide?
The InChIKey is BJJMFINCUJXUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C4H7NO.C3H5NO/c1-2-8-3-5-9(7-10)6-4-8;1-3(2)4(5)6;1-2-3(4)5/h2-6H,1,7,10H2;1H2,2H3,(H2,5,6);2H,1H2,(H2,4,5).
What are the key properties of (4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide?
(4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide has a molecular weight of 289.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methanamine;2-methylprop-2-enamide;prop-2-enamide is sourced from PubChem (CID 157367641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).