2,2-bis(2-methylprop-2-enoyl)propanedinitrile

C11H10N2O2 — CID 57094081

IUPAC2,2-bis(2-methylprop-2-enoyl)propanedinitrile
SMILESC=C(C)C(=O)C(C#N)(C#N)C(=O)C(=C)C
InChIInChI=1S/C11H10N2O2/c1-7(2)9(14)11(5-12,6-13)10(15)8(3)4/h1,3H2,2,4H3
InChIKeyIYPUYMWIFAYSKL-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.31
Rot. Bonds4

About 2,2-bis(2-methylprop-2-enoyl)propanedinitrile

2,2-bis(2-methylprop-2-enoyl)propanedinitrile (PubChem CID 57094081) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2,2-bis(2-methylprop-2-enoyl)propanedinitrile.

Molecular Properties

Compound Name2,2-bis(2-methylprop-2-enoyl)propanedinitrile
PubChem CID57094081
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2,2-bis(2-methylprop-2-enoyl)propanedinitrile
SMILESC=C(C)C(=O)C(C#N)(C#N)C(=O)C(=C)C
InChIInChI=1S/C11H10N2O2/c1-7(2)9(14)11(5-12,6-13)10(15)8(3)4/h1,3H2,2,4H3
InChIKeyIYPUYMWIFAYSKL-UHFFFAOYSA-N
XLogP1.31
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-3-methylbut-3-en-2-one
CID 15366138
2,2-difluoro-3-oxobutanenitrile
CID 141364728
1-chloro-1,1-difluoro-3-methylbut-3-en-2-one
CID 112575087
2,2,3,3,5-pentamethyl-4-oxohex-5-enoic acid
CID 118670942
chromium;bis(2-methylprop-2-enoic acid);hydrate
CID 165107719
2-methylprop-2-enamide;hydrate
CID 88749193
2,4-dimethyl-4-methylsulfonylpent-1-en-3-one
CID 115780896
cyanic acid;propan-2-one
CID 141158454
bis(acetonitrile);bis(propan-2-one)
CID 163880321
(Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile
CID 145301363
acetic acid;acetonitrile;formaldehyde
CID 174459344
2,3-dihydroxy-5-methyl-2-(2-methylprop-2-enoyl)-4-oxohex-5-enal
CID 22461346

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylprop-2-enoyl)propanedinitrile?
The IUPAC name of 2,2-bis(2-methylprop-2-enoyl)propanedinitrile (CID 57094081) is 2,2-bis(2-methylprop-2-enoyl)propanedinitrile.
What is the SMILES notation for 2,2-bis(2-methylprop-2-enoyl)propanedinitrile?
The canonical SMILES for 2,2-bis(2-methylprop-2-enoyl)propanedinitrile is C=C(C)C(=O)C(C#N)(C#N)C(=O)C(=C)C.
What is the InChIKey of 2,2-bis(2-methylprop-2-enoyl)propanedinitrile?
The InChIKey is IYPUYMWIFAYSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7(2)9(14)11(5-12,6-13)10(15)8(3)4/h1,3H2,2,4H3.
What are the key properties of 2,2-bis(2-methylprop-2-enoyl)propanedinitrile?
2,2-bis(2-methylprop-2-enoyl)propanedinitrile has a molecular weight of 202.21 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylprop-2-enoyl)propanedinitrile is sourced from PubChem (CID 57094081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).