1,2-bis(ethenyl)benzene;2-methylprop-2-enamide

C14H17NO — CID 70531006

IUPAC1,2-bis(ethenyl)benzene;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.C=Cc1ccccc1C=C
InChIInChI=1S/C10H10.C4H7NO/c1-3-9-7-5-6-8-10(9)4-2;1-3(2)4(5)6/h3-8H,1-2H2;1H2,2H3,(H2,5,6)
InChIKeyCZNMYMLUZPIJKF-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.02
Rot. Bonds3

About 1,2-bis(ethenyl)benzene;2-methylprop-2-enamide

1,2-bis(ethenyl)benzene;2-methylprop-2-enamide (PubChem CID 70531006) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;2-methylprop-2-enamide.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;2-methylprop-2-enamide
PubChem CID70531006
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1,2-bis(ethenyl)benzene;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.C=Cc1ccccc1C=C
InChIInChI=1S/C10H10.C4H7NO/c1-3-9-7-5-6-8-10(9)4-2;1-3(2)4(5)6/h3-8H,1-2H2;1H2,2H3,(H2,5,6)
InChIKeyCZNMYMLUZPIJKF-UHFFFAOYSA-N
XLogP3.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 159564409
CID 159564409
calcium;1,2-bis(ethenyl)benzene;bis(2-methylprop-2-enoate)
CID 161431336
1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene
CID 6454102
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
bis(2-methylprop-2-enamide);phthalic acid
CID 161166045
buta-1,3-diene;1-ethenyl-2-methylbenzene;2-methylprop-2-enoic acid
CID 175445378
ethenol;2-methylprop-2-enamide
CID 87880771
1,2-bis(ethenyl)benzene;octyl 2-methylprop-2-enoate
CID 21392908
CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021
1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene
CID 161166540
ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene
CID 143654751

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;2-methylprop-2-enamide?
The IUPAC name of 1,2-bis(ethenyl)benzene;2-methylprop-2-enamide (CID 70531006) is 1,2-bis(ethenyl)benzene;2-methylprop-2-enamide.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;2-methylprop-2-enamide?
The canonical SMILES for 1,2-bis(ethenyl)benzene;2-methylprop-2-enamide is C=C(C)C(N)=O.C=Cc1ccccc1C=C.
What is the InChIKey of 1,2-bis(ethenyl)benzene;2-methylprop-2-enamide?
The InChIKey is CZNMYMLUZPIJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C4H7NO/c1-3-9-7-5-6-8-10(9)4-2;1-3(2)4(5)6/h3-8H,1-2H2;1H2,2H3,(H2,5,6).
What are the key properties of 1,2-bis(ethenyl)benzene;2-methylprop-2-enamide?
1,2-bis(ethenyl)benzene;2-methylprop-2-enamide has a molecular weight of 215.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)benzene;2-methylprop-2-enamide is sourced from PubChem (CID 70531006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).