(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane

C11H15N3 — CID 162686706

IUPAC(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane
SMILESC/C=C\C(C#N)=N\C(C#N)=C/C.CC
InChIInChI=1S/C9H9N3.C2H6/c1-3-5-9(7-11)12-8(4-2)6-10;1-2/h3-5H,1-2H3;1-2H3/b5-3-,8-4-,12-9-;
InChIKeyBMXZSXNPFBTBNT-FONPLPLHSA-N
MW189.26 g/mol
LogP2.98
Rot. Bonds2

About (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane

(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane (PubChem CID 162686706) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane.

Molecular Properties

Compound Name(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane
PubChem CID162686706
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane
SMILESC/C=C\C(C#N)=N\C(C#N)=C/C.CC
InChIInChI=1S/C9H9N3.C2H6/c1-3-5-9(7-11)12-8(4-2)6-10;1-2/h3-5H,1-2H3;1-2H3/b5-3-,8-4-,12-9-;
InChIKeyBMXZSXNPFBTBNT-FONPLPLHSA-N
XLogP2.98
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile
CID 168972642
(E)-3-[[(E)-pent-3-en-2-ylidene]amino]prop-2-enenitrile
CID 118528035
(Z)-N-prop-1-en-2-ylpent-3-en-2-imine
CID 121360794
2,3-dimethyl-4H-azepine-7-carbonitrile
CID 123297703
(2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile
CID 123676535
N-methylbut-2-enimidoyl cyanide
CID 123780054
(Z)-N-methylbut-2-enimidoyl cyanide
CID 124182040
(Z)-N-[(Z)-but-2-en-2-yl]pent-3-en-2-imine
CID 126547501
(Z)-N-prop-1-en-2-ylhex-3-en-2-imine
CID 126677455
N-[(2Z,5E)-hepta-2,5-dien-2-yl]but-3-en-2-imine
CID 138509472
(Z)-N-[(Z)-pent-2-en-3-yl]pent-3-en-2-imine
CID 139455458
2,7-dimethyl-4H-azepine
CID 142215630

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane?
The IUPAC name of (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane (CID 162686706) is (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane.
What is the SMILES notation for (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane?
The canonical SMILES for (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane is C/C=C\C(C#N)=N\C(C#N)=C/C.CC.
What is the InChIKey of (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane?
The InChIKey is BMXZSXNPFBTBNT-FONPLPLHSA-N. The full InChI is InChI=1S/C9H9N3.C2H6/c1-3-5-9(7-11)12-8(4-2)6-10;1-2/h3-5H,1-2H3;1-2H3/b5-3-,8-4-,12-9-;.
What are the key properties of (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane?
(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane has a molecular weight of 189.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane is sourced from PubChem (CID 162686706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).