(6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine

C14H19NO2 — CID 144576333

IUPAC(6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=C(OC)C(OC)=C\C1=C(\C)CC
InChIInChI=1S/C14H19NO2/c1-6-10(3)11-8-13(16-4)14(17-5)9-12(11)15-7-2/h7-9H,2,6H2,1,3-5H3/b11-10+,15-12+
InChIKeyFNRVHHAEMSYVMC-GCHFJXRNSA-N
MW233.31 g/mol
LogP3.37
Rot. Bonds4

About (6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine

(6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine (PubChem CID 144576333) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine
PubChem CID144576333
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=C(OC)C(OC)=C\C1=C(\C)CC
InChIInChI=1S/C14H19NO2/c1-6-10(3)11-8-13(16-4)14(17-5)9-12(11)15-7-2/h7-9H,2,6H2,1,3-5H3/b11-10+,15-12+
InChIKeyFNRVHHAEMSYVMC-GCHFJXRNSA-N
XLogP3.37
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine (CID 144576333) is (6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine is C=C/N=C1\C=C(OC)C(OC)=C\C1=C(\C)CC.
What is the InChIKey of (6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine?
The InChIKey is FNRVHHAEMSYVMC-GCHFJXRNSA-N. The full InChI is InChI=1S/C14H19NO2/c1-6-10(3)11-8-13(16-4)14(17-5)9-12(11)15-7-2/h7-9H,2,6H2,1,3-5H3/b11-10+,15-12+.
What are the key properties of (6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine?
(6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine has a molecular weight of 233.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 144576333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).