(E)-5-pyrrol-1-yloct-5-en-4-imine

C12H18N2 — CID 91443768

IUPAC(E)-5-pyrrol-1-yloct-5-en-4-imine
SMILES[H]/N=C(CCC)/C(=C\CC)n1cccc1
InChIInChI=1S/C12H18N2/c1-3-7-11(13)12(8-4-2)14-9-5-6-10-14/h5-6,8-10,13H,3-4,7H2,1-2H3/b12-8+,13-11+
InChIKeyPPQIKBPDPOWRLI-UHSWXSRBSA-N
MW190.29 g/mol
LogP3.56
Rot. Bonds5

About (E)-5-pyrrol-1-yloct-5-en-4-imine

(E)-5-pyrrol-1-yloct-5-en-4-imine (PubChem CID 91443768) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (E)-5-pyrrol-1-yloct-5-en-4-imine.

Molecular Properties

Compound Name(E)-5-pyrrol-1-yloct-5-en-4-imine
PubChem CID91443768
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(E)-5-pyrrol-1-yloct-5-en-4-imine
SMILES[H]/N=C(CCC)/C(=C\CC)n1cccc1
InChIInChI=1S/C12H18N2/c1-3-7-11(13)12(8-4-2)14-9-5-6-10-14/h5-6,8-10,13H,3-4,7H2,1-2H3/b12-8+,13-11+
InChIKeyPPQIKBPDPOWRLI-UHSWXSRBSA-N
XLogP3.56
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.56
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

(5Z)-5,7-dimethylocta-5,7-dien-4-imine
CID 135190093
2-iminopentanimidamide
CID 90797983
4-ethylhept-4-en-3-imine
CID 15439670
1-hydroxy-3-iminohexan-2-one
CID 146743170
(Z)-5-methyl-4-propylhept-3-ene
CID 145358469
[(E)-4-imino-3-methylhept-2-enyl] 3-oxobutanoate
CID 175280925
hexan-3-imine
CID 44512023
butanimidoyl bromide
CID 151001850
4-imino-2-methylheptan-1-ol
CID 175272067
3-methyl-1-pyrrol-1-ylbutan-2-imine
CID 174642809
1-pyrrol-1-ylhex-2-en-1-one
CID 72789565
methyl 2-pyrazol-1-ylethanimidate
CID 121211993

Frequently Asked Questions

What is the IUPAC name of (E)-5-pyrrol-1-yloct-5-en-4-imine?
The IUPAC name of (E)-5-pyrrol-1-yloct-5-en-4-imine (CID 91443768) is (E)-5-pyrrol-1-yloct-5-en-4-imine.
What is the SMILES notation for (E)-5-pyrrol-1-yloct-5-en-4-imine?
The canonical SMILES for (E)-5-pyrrol-1-yloct-5-en-4-imine is [H]/N=C(CCC)/C(=C\CC)n1cccc1.
What is the InChIKey of (E)-5-pyrrol-1-yloct-5-en-4-imine?
The InChIKey is PPQIKBPDPOWRLI-UHSWXSRBSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-7-11(13)12(8-4-2)14-9-5-6-10-14/h5-6,8-10,13H,3-4,7H2,1-2H3/b12-8+,13-11+.
What are the key properties of (E)-5-pyrrol-1-yloct-5-en-4-imine?
(E)-5-pyrrol-1-yloct-5-en-4-imine has a molecular weight of 190.29 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-pyrrol-1-yloct-5-en-4-imine is sourced from PubChem (CID 91443768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).