(Z)-4-ethyl-5-iminohept-3-enenitrile

C9H14N2 — CID 90243438

IUPAC(Z)-4-ethyl-5-iminohept-3-enenitrile
SMILES[H]/N=C(CC)/C(=C\CC#N)CC
InChIInChI=1S/C9H14N2/c1-3-8(6-5-7-10)9(11)4-2/h6,11H,3-5H2,1-2H3/b8-6-,11-9+
InChIKeyWRFHQCRGWOCVKM-ZOEDNYEGSA-N
MW150.22 g/mol
LogP2.67
Rot. Bonds4

About (Z)-4-ethyl-5-iminohept-3-enenitrile

(Z)-4-ethyl-5-iminohept-3-enenitrile (PubChem CID 90243438) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (Z)-4-ethyl-5-iminohept-3-enenitrile.

Molecular Properties

Compound Name(Z)-4-ethyl-5-iminohept-3-enenitrile
PubChem CID90243438
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(Z)-4-ethyl-5-iminohept-3-enenitrile
SMILES[H]/N=C(CC)/C(=C\CC#N)CC
InChIInChI=1S/C9H14N2/c1-3-8(6-5-7-10)9(11)4-2/h6,11H,3-5H2,1-2H3/b8-6-,11-9+
InChIKeyWRFHQCRGWOCVKM-ZOEDNYEGSA-N
XLogP2.67
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethyl-5-iminohept-3-enenitrile?
The IUPAC name of (Z)-4-ethyl-5-iminohept-3-enenitrile (CID 90243438) is (Z)-4-ethyl-5-iminohept-3-enenitrile.
What is the SMILES notation for (Z)-4-ethyl-5-iminohept-3-enenitrile?
The canonical SMILES for (Z)-4-ethyl-5-iminohept-3-enenitrile is [H]/N=C(CC)/C(=C\CC#N)CC.
What is the InChIKey of (Z)-4-ethyl-5-iminohept-3-enenitrile?
The InChIKey is WRFHQCRGWOCVKM-ZOEDNYEGSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8(6-5-7-10)9(11)4-2/h6,11H,3-5H2,1-2H3/b8-6-,11-9+.
What are the key properties of (Z)-4-ethyl-5-iminohept-3-enenitrile?
(Z)-4-ethyl-5-iminohept-3-enenitrile has a molecular weight of 150.22 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-5-iminohept-3-enenitrile is sourced from PubChem (CID 90243438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).