(Z)-2-ethyl-3-(methylamino)but-2-enedinitrile

C7H9N3 — CID 12558801

IUPAC(Z)-2-ethyl-3-(methylamino)but-2-enedinitrile
SMILESCC/C(C#N)=C(\C#N)NC
InChIInChI=1S/C7H9N3/c1-3-6(4-8)7(5-9)10-2/h10H,3H2,1-2H3/b7-6-
InChIKeyZTVLVGXUMHWMEU-SREVYHEPSA-N
MW135.17 g/mol
LogP0.92
Rot. Bonds2

About (Z)-2-ethyl-3-(methylamino)but-2-enedinitrile

(Z)-2-ethyl-3-(methylamino)but-2-enedinitrile (PubChem CID 12558801) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is (Z)-2-ethyl-3-(methylamino)but-2-enedinitrile.

Molecular Properties

Compound Name(Z)-2-ethyl-3-(methylamino)but-2-enedinitrile
PubChem CID12558801
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name(Z)-2-ethyl-3-(methylamino)but-2-enedinitrile
SMILESCC/C(C#N)=C(\C#N)NC
InChIInChI=1S/C7H9N3/c1-3-6(4-8)7(5-9)10-2/h10H,3H2,1-2H3/b7-6-
InChIKeyZTVLVGXUMHWMEU-SREVYHEPSA-N
XLogP0.92
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-amino-2-ethylpent-2-enenitrile
CID 23331669
(E)-3-fluoro-2-(methylamino)but-2-enenitrile
CID 170066928
3-chloro-2-ethyl-4,4-dimethylpent-2-enenitrile
CID 76922630
(2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile
CID 135197496
[(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide
CID 132595102
ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate
CID 2829864
N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide
CID 16679784
2-[chloro-(3-chlorophenyl)methylidene]butanenitrile
CID 76922297
(2Z)-2-[amino-(3,5-dibromophenyl)methylidene]butanenitrile
CID 107981277
2-[chloro-(1-methylcyclohexyl)methylidene]butanenitrile
CID 106827786
2-[chloro-(4-iodophenyl)methylidene]butanenitrile
CID 76922680
ethanol;propanenitrile;hydrate
CID 158101075

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-3-(methylamino)but-2-enedinitrile?
The IUPAC name of (Z)-2-ethyl-3-(methylamino)but-2-enedinitrile (CID 12558801) is (Z)-2-ethyl-3-(methylamino)but-2-enedinitrile.
What is the SMILES notation for (Z)-2-ethyl-3-(methylamino)but-2-enedinitrile?
The canonical SMILES for (Z)-2-ethyl-3-(methylamino)but-2-enedinitrile is CC/C(C#N)=C(\C#N)NC.
What is the InChIKey of (Z)-2-ethyl-3-(methylamino)but-2-enedinitrile?
The InChIKey is ZTVLVGXUMHWMEU-SREVYHEPSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-6(4-8)7(5-9)10-2/h10H,3H2,1-2H3/b7-6-.
What are the key properties of (Z)-2-ethyl-3-(methylamino)but-2-enedinitrile?
(Z)-2-ethyl-3-(methylamino)but-2-enedinitrile has a molecular weight of 135.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-3-(methylamino)but-2-enedinitrile is sourced from PubChem (CID 12558801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).