(4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine

C12H15N — CID 163762239

IUPAC(4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine
SMILESC=C/C=C\C=C/C(C=C)=N/CC=C
InChIInChI=1S/C12H15N/c1-4-7-8-9-10-12(6-3)13-11-5-2/h4-10H,1-3,11H2/b8-7-,10-9-,13-12+
InChIKeyLZDXBXUCCHRAAU-TXVMBKEHSA-N
MW173.26 g/mol
LogP3.10
Rot. Bonds6

About (4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine

(4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine (PubChem CID 163762239) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine.

Molecular Properties

Compound Name(4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine
PubChem CID163762239
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine
SMILESC=C/C=C\C=C/C(C=C)=N/CC=C
InChIInChI=1S/C12H15N/c1-4-7-8-9-10-12(6-3)13-11-5-2/h4-10H,1-3,11H2/b8-7-,10-9-,13-12+
InChIKeyLZDXBXUCCHRAAU-TXVMBKEHSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine?
The IUPAC name of (4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine (CID 163762239) is (4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine.
What is the SMILES notation for (4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine?
The canonical SMILES for (4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine is C=C/C=C\C=C/C(C=C)=N/CC=C.
What is the InChIKey of (4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine?
The InChIKey is LZDXBXUCCHRAAU-TXVMBKEHSA-N. The full InChI is InChI=1S/C12H15N/c1-4-7-8-9-10-12(6-3)13-11-5-2/h4-10H,1-3,11H2/b8-7-,10-9-,13-12+.
What are the key properties of (4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine?
(4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine has a molecular weight of 173.26 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-N-prop-2-enylnona-1,4,6,8-tetraen-3-imine is sourced from PubChem (CID 163762239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).