2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile

C10H7N3 — CID 88893793

IUPAC2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1ccc(=CN)cc1
InChIInChI=1S/C10H7N3/c11-5-8-1-3-9(4-2-8)10(6-12)7-13/h1-5H,11H2
InChIKeyQVEFMZFLZSMGMZ-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.42
Rot. Bonds

About 2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile

2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile (PubChem CID 88893793) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
PubChem CID88893793
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1ccc(=CN)cc1
InChIInChI=1S/C10H7N3/c11-5-8-1-3-9(4-2-8)10(6-12)7-13/h1-5H,11H2
InChIKeyQVEFMZFLZSMGMZ-UHFFFAOYSA-N
XLogP-0.42
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The IUPAC name of 2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile (CID 88893793) is 2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile is N#CC(C#N)=c1ccc(=CN)cc1.
What is the InChIKey of 2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The InChIKey is QVEFMZFLZSMGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c11-5-8-1-3-9(4-2-8)10(6-12)7-13/h1-5H,11H2.
What are the key properties of 2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile has a molecular weight of 169.19 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile is sourced from PubChem (CID 88893793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).