1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile

C11H10N4 — CID 10954524

IUPAC1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile
SMILESC=C(CC(C)(C#N)C#N)C(C)(C#N)C#N
InChIInChI=1S/C11H10N4/c1-9(11(3,7-14)8-15)4-10(2,5-12)6-13/h1,4H2,2-3H3
InChIKeyLFECEHBPVFKIHR-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.04
Rot. Bonds3

About 1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile

1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile (PubChem CID 10954524) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile.

Molecular Properties

Compound Name1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile
PubChem CID10954524
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile
SMILESC=C(CC(C)(C#N)C#N)C(C)(C#N)C#N
InChIInChI=1S/C11H10N4/c1-9(11(3,7-14)8-15)4-10(2,5-12)6-13/h1,4H2,2-3H3
InChIKeyLFECEHBPVFKIHR-UHFFFAOYSA-N
XLogP2.04
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2,2-dichloropropanenitrile
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2-hydroxy-2-methylpentanenitrile
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2-tert-butyl-2,3,3-trimethylbutanenitrile
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ethane;2-hydroxy-2-methylpropanenitrile
CID 164588960
4,4,6-trimethylhept-6-enenitrile
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(3E)-2,2-dimethyl-6-methylideneocta-3,7-dienenitrile
CID 139481114
4-chloro-3-hydroxy-2,2-dimethylbutanenitrile
CID 142227153
2-amino-3-chloro-2-methylpropanenitrile
CID 139645782
3-chloro-N-(2-cyanopropan-2-yl)-N,2,2-trimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile?
The IUPAC name of 1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile (CID 10954524) is 1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile.
What is the SMILES notation for 1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile?
The canonical SMILES for 1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile is C=C(CC(C)(C#N)C#N)C(C)(C#N)C#N.
What is the InChIKey of 1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile?
The InChIKey is LFECEHBPVFKIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-9(11(3,7-14)8-15)4-10(2,5-12)6-13/h1,4H2,2-3H3.
What are the key properties of 1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile?
1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile has a molecular weight of 198.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidenepentane-1,1,4,4-tetracarbonitrile is sourced from PubChem (CID 10954524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).