(2E)-2-(aminomethylidene)pentanenitrile

C6H10N2 — CID 12751988

IUPAC(2E)-2-(aminomethylidene)pentanenitrile
SMILESCCC/C(C#N)=C\N
InChIInChI=1S/C6H10N2/c1-2-3-6(4-7)5-8/h4H,2-3,7H2,1H3/b6-4+
InChIKeyXWBLAJJRUXCGEA-GQCTYLIASA-N
MW110.16 g/mol
LogP1.15
Rot. Bonds2

About (2E)-2-(aminomethylidene)pentanenitrile

(2E)-2-(aminomethylidene)pentanenitrile (PubChem CID 12751988) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (2E)-2-(aminomethylidene)pentanenitrile.

Molecular Properties

Compound Name(2E)-2-(aminomethylidene)pentanenitrile
PubChem CID12751988
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(2E)-2-(aminomethylidene)pentanenitrile
SMILESCCC/C(C#N)=C\N
InChIInChI=1S/C6H10N2/c1-2-3-6(4-7)5-8/h4H,2-3,7H2,1H3/b6-4+
InChIKeyXWBLAJJRUXCGEA-GQCTYLIASA-N
XLogP1.15
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(aminomethylidene)pentanenitrile?
The IUPAC name of (2E)-2-(aminomethylidene)pentanenitrile (CID 12751988) is (2E)-2-(aminomethylidene)pentanenitrile.
What is the SMILES notation for (2E)-2-(aminomethylidene)pentanenitrile?
The canonical SMILES for (2E)-2-(aminomethylidene)pentanenitrile is CCC/C(C#N)=C\N.
What is the InChIKey of (2E)-2-(aminomethylidene)pentanenitrile?
The InChIKey is XWBLAJJRUXCGEA-GQCTYLIASA-N. The full InChI is InChI=1S/C6H10N2/c1-2-3-6(4-7)5-8/h4H,2-3,7H2,1H3/b6-4+.
What are the key properties of (2E)-2-(aminomethylidene)pentanenitrile?
(2E)-2-(aminomethylidene)pentanenitrile has a molecular weight of 110.16 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(aminomethylidene)pentanenitrile is sourced from PubChem (CID 12751988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).