N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine

C10H15N — CID 118227660

IUPACN-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine
SMILESC=C/C=N/C/C=C\C=C/CC
InChIInChI=1S/C10H15N/c1-3-5-6-7-8-10-11-9-4-2/h4-9H,2-3,10H2,1H3/b6-5-,8-7-,11-9+
InChIKeyDKCCTOGSXVJOAJ-URJNDAKMSA-N
MW149.24 g/mol
LogP2.77
Rot. Bonds5

About N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine

N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine (PubChem CID 118227660) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine
PubChem CID118227660
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine
SMILESC=C/C=N/C/C=C\C=C/CC
InChIInChI=1S/C10H15N/c1-3-5-6-7-8-10-11-9-4-2/h4-9H,2-3,10H2,1H3/b6-5-,8-7-,11-9+
InChIKeyDKCCTOGSXVJOAJ-URJNDAKMSA-N
XLogP2.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine?
The IUPAC name of N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine (CID 118227660) is N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine.
What is the SMILES notation for N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine?
The canonical SMILES for N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine is C=C/C=N/C/C=C\C=C/CC.
What is the InChIKey of N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine?
The InChIKey is DKCCTOGSXVJOAJ-URJNDAKMSA-N. The full InChI is InChI=1S/C10H15N/c1-3-5-6-7-8-10-11-9-4-2/h4-9H,2-3,10H2,1H3/b6-5-,8-7-,11-9+.
What are the key properties of N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine?
N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine is sourced from PubChem (CID 118227660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).