(Z)-4-ethynylhex-4-en-3-imine

C8H11N — CID 123546260

IUPAC(Z)-4-ethynylhex-4-en-3-imine
SMILES[H]/N=C(CC)/C(C#C)=C\C
InChIInChI=1S/C8H11N/c1-4-7(5-2)8(9)6-3/h1,5,9H,6H2,2-3H3/b7-5-,9-8+
InChIKeyCCDZKRVJLYCOAU-SUHGFZJFSA-N
MW121.18 g/mol
LogP2.00
Rot. Bonds2

About (Z)-4-ethynylhex-4-en-3-imine

(Z)-4-ethynylhex-4-en-3-imine (PubChem CID 123546260) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (Z)-4-ethynylhex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-4-ethynylhex-4-en-3-imine
PubChem CID123546260
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(Z)-4-ethynylhex-4-en-3-imine
SMILES[H]/N=C(CC)/C(C#C)=C\C
InChIInChI=1S/C8H11N/c1-4-7(5-2)8(9)6-3/h1,5,9H,6H2,2-3H3/b7-5-,9-8+
InChIKeyCCDZKRVJLYCOAU-SUHGFZJFSA-N
XLogP2.00
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-ethylidene-2-fluorohept-5-yn-3-imine
CID 123211965
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
(Z)-3-methylhept-3-en-2-imine
CID 90869422
2-Methylhept-2-en-4-imine
CID 91215600
(Z)-4-methylhex-4-en-3-imine
CID 91422785
3,6-Dimethylhepta-3,6-dien-2-imine
CID 91523155
(Z)-3-ethylhex-3-en-2-imine
CID 91585988
6-Methylhept-5-en-2-imine
CID 117688979
(E)-4-ethylhex-4-en-3-imine
CID 118894280
(Z)-3-methylhept-2-en-4-imine
CID 123172037
2-Methylhex-1-en-5-yn-3-imine
CID 123264367
2-Methylocta-1,4-dien-6-yn-3-imine
CID 123433130

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethynylhex-4-en-3-imine?
The IUPAC name of (Z)-4-ethynylhex-4-en-3-imine (CID 123546260) is (Z)-4-ethynylhex-4-en-3-imine.
What is the SMILES notation for (Z)-4-ethynylhex-4-en-3-imine?
The canonical SMILES for (Z)-4-ethynylhex-4-en-3-imine is [H]/N=C(CC)/C(C#C)=C\C.
What is the InChIKey of (Z)-4-ethynylhex-4-en-3-imine?
The InChIKey is CCDZKRVJLYCOAU-SUHGFZJFSA-N. The full InChI is InChI=1S/C8H11N/c1-4-7(5-2)8(9)6-3/h1,5,9H,6H2,2-3H3/b7-5-,9-8+.
What are the key properties of (Z)-4-ethynylhex-4-en-3-imine?
(Z)-4-ethynylhex-4-en-3-imine has a molecular weight of 121.18 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethynylhex-4-en-3-imine is sourced from PubChem (CID 123546260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).