3-methylcyclopentane-1,1,2,2-tetracarbonitrile

C10H8N4 — CID 12974835

IUPAC3-methylcyclopentane-1,1,2,2-tetracarbonitrile
SMILESCC1CCC(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C10H8N4/c1-8-2-3-9(4-11,5-12)10(8,6-13)7-14/h8H,2-3H2,1H3
InChIKeyMXYDWDCNOJXXRH-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.48
Rot. Bonds

About 3-methylcyclopentane-1,1,2,2-tetracarbonitrile

3-methylcyclopentane-1,1,2,2-tetracarbonitrile (PubChem CID 12974835) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-methylcyclopentane-1,1,2,2-tetracarbonitrile.

Molecular Properties

Compound Name3-methylcyclopentane-1,1,2,2-tetracarbonitrile
PubChem CID12974835
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name3-methylcyclopentane-1,1,2,2-tetracarbonitrile
SMILESCC1CCC(C#N)(C#N)C1(C#N)C#N
InChIInChI=1S/C10H8N4/c1-8-2-3-9(4-11,5-12)10(8,6-13)7-14/h8H,2-3H2,1H3
InChIKeyMXYDWDCNOJXXRH-UHFFFAOYSA-N
XLogP1.48
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethylcyclopentane-1-carbonitrile
CID 10057496
1,1,2,2-Tetracyanocyclopentane
CID 12974839
2-(1,2,2-Trimethylcyclopentyl)propanenitrile
CID 129216319
2-Cyclopentyl-2-methylpropanedinitrile
CID 101397763
2,5-Bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile
CID 134855916
2-(2,3-Dimethylcyclopentyl)acetonitrile
CID 283880
trans-(3R,4R)-1-(cyanomethyl)-3,4-dimethylcyclopentane-1-carbonitrile
CID 12970149
2,2,5,5-Tetramethylcyclopentane-1-carbonitrile
CID 14028849
1,2,2-Trimethylcyclopentane-1,3-dicarbonitrile
CID 14167696
4-Ethyl-1,2-dimethylcyclopentane-1-carbonitrile
CID 21336438
1-(Cyanomethyl)-3,4-dimethylcyclopentane-1-carbonitrile
CID 21888423
2-Cyclopentyl-2-methylpropanenitrile
CID 23230192

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopentane-1,1,2,2-tetracarbonitrile?
The IUPAC name of 3-methylcyclopentane-1,1,2,2-tetracarbonitrile (CID 12974835) is 3-methylcyclopentane-1,1,2,2-tetracarbonitrile.
What is the SMILES notation for 3-methylcyclopentane-1,1,2,2-tetracarbonitrile?
The canonical SMILES for 3-methylcyclopentane-1,1,2,2-tetracarbonitrile is CC1CCC(C#N)(C#N)C1(C#N)C#N.
What is the InChIKey of 3-methylcyclopentane-1,1,2,2-tetracarbonitrile?
The InChIKey is MXYDWDCNOJXXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-8-2-3-9(4-11,5-12)10(8,6-13)7-14/h8H,2-3H2,1H3.
What are the key properties of 3-methylcyclopentane-1,1,2,2-tetracarbonitrile?
3-methylcyclopentane-1,1,2,2-tetracarbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopentane-1,1,2,2-tetracarbonitrile is sourced from PubChem (CID 12974835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).