2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile

C7H10N2 — CID 5367710

IUPAC2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile
SMILESC/C=C(C)/C=N/CC#N
InChIInChI=1S/C7H10N2/c1-3-7(2)6-9-5-4-8/h3,6H,5H2,1-2H3/b7-3+,9-6+
InChIKeyPJOWMOHIFGMXNF-LBGDCKNPSA-N
MW122.17 g/mol
LogP1.55
Rot. Bonds2

About 2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile

2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile (PubChem CID 5367710) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile.

Molecular Properties

Compound Name2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile
PubChem CID5367710
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile
SMILESC/C=C(C)/C=N/CC#N
InChIInChI=1S/C7H10N2/c1-3-7(2)6-9-5-4-8/h3,6H,5H2,1-2H3/b7-3+,9-6+
InChIKeyPJOWMOHIFGMXNF-LBGDCKNPSA-N
XLogP1.55
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile?
The IUPAC name of 2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile (CID 5367710) is 2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile.
What is the SMILES notation for 2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile?
The canonical SMILES for 2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile is C/C=C(C)/C=N/CC#N.
What is the InChIKey of 2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile?
The InChIKey is PJOWMOHIFGMXNF-LBGDCKNPSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-7(2)6-9-5-4-8/h3,6H,5H2,1-2H3/b7-3+,9-6+.
What are the key properties of 2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile?
2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile has a molecular weight of 122.17 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-methylbut-2-enylidene]amino]acetonitrile is sourced from PubChem (CID 5367710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).