N-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine

C10H15N — CID 137383528

IUPACN-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C\CCCC=C
InChIInChI=1S/C10H15N/c1-3-5-6-7-8-10-11-9-4-2/h3-4,8-10H,1-2,5-7H2/b10-8-,11-9+
InChIKeyWGCZIRFBZLAYHN-PNQPDEHRSA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds6

About N-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine

N-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine (PubChem CID 137383528) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine
PubChem CID137383528
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C\CCCC=C
InChIInChI=1S/C10H15N/c1-3-5-6-7-8-10-11-9-4-2/h3-4,8-10H,1-2,5-7H2/b10-8-,11-9+
InChIKeyWGCZIRFBZLAYHN-PNQPDEHRSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine?
The IUPAC name of N-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine (CID 137383528) is N-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine.
What is the SMILES notation for N-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine?
The canonical SMILES for N-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine is C=C/C=N/C=C\CCCC=C.
What is the InChIKey of N-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine?
The InChIKey is WGCZIRFBZLAYHN-PNQPDEHRSA-N. The full InChI is InChI=1S/C10H15N/c1-3-5-6-7-8-10-11-9-4-2/h3-4,8-10H,1-2,5-7H2/b10-8-,11-9+.
What are the key properties of N-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine?
N-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-hepta-1,6-dienyl]prop-2-en-1-imine is sourced from PubChem (CID 137383528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).