(Z)-but-2-enimidoyl cyanide

C5H6N2 — CID 123741154

IUPAC(Z)-but-2-enimidoyl cyanide
SMILES[H]/N=C(C#N)/C=C\C
InChIInChI=1S/C5H6N2/c1-2-3-5(7)4-6/h2-3,7H,1H3/b3-2-,7-5-
InChIKeyYHRAHCFTCDBARM-ZSBGFAJOSA-N
MW94.12 g/mol
LogP1.11
Rot. Bonds1

About (Z)-but-2-enimidoyl cyanide

(Z)-but-2-enimidoyl cyanide (PubChem CID 123741154) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is (Z)-but-2-enimidoyl cyanide.

Molecular Properties

Compound Name(Z)-but-2-enimidoyl cyanide
PubChem CID123741154
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name(Z)-but-2-enimidoyl cyanide
SMILES[H]/N=C(C#N)/C=C\C
InChIInChI=1S/C5H6N2/c1-2-3-5(7)4-6/h2-3,7H,1H3/b3-2-,7-5-
InChIKeyYHRAHCFTCDBARM-ZSBGFAJOSA-N
XLogP1.11
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethylidene-2-iminopropionitrile
CID 129691810
(Z)-pent-3-en-2-imine
CID 90707502
(4Z)-hepta-1,4-dien-3-imine
CID 90857061
(E)-hex-3-en-2-imine
CID 91212291
(2Z,5Z)-hepta-2,5-dien-4-imine
CID 91289799
Pent-3-en-2-imine
CID 91381647
(E)-pent-3-en-2-imine
CID 91530034
(4Z)-hexa-1,4-dien-3-imine
CID 91614892
(Z)-hex-3-ene-2,5-diimine
CID 123539152
Prop-2-enimidoyl cyanide
CID 123676246
Hexa-1,4-dien-3-imine
CID 123678894
(Z)-5-imino-2-methylhex-3-enenitrile
CID 123776572

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enimidoyl cyanide?
The IUPAC name of (Z)-but-2-enimidoyl cyanide (CID 123741154) is (Z)-but-2-enimidoyl cyanide.
What is the SMILES notation for (Z)-but-2-enimidoyl cyanide?
The canonical SMILES for (Z)-but-2-enimidoyl cyanide is [H]/N=C(C#N)/C=C\C.
What is the InChIKey of (Z)-but-2-enimidoyl cyanide?
The InChIKey is YHRAHCFTCDBARM-ZSBGFAJOSA-N. The full InChI is InChI=1S/C5H6N2/c1-2-3-5(7)4-6/h2-3,7H,1H3/b3-2-,7-5-.
What are the key properties of (Z)-but-2-enimidoyl cyanide?
(Z)-but-2-enimidoyl cyanide has a molecular weight of 94.12 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enimidoyl cyanide is sourced from PubChem (CID 123741154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).