(4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine

C11H17N — CID 121307032

IUPAC(4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine
SMILES[H]/N=C/CC(=C)[C@H](C)C/C=C\C=C
InChIInChI=1S/C11H17N/c1-4-5-6-7-10(2)11(3)8-9-12/h4-6,9-10,12H,1,3,7-8H2,2H3/b6-5-,12-9+/t10-/m1/s1
InChIKeyDMKCITVJLBASFY-YSTARBRHSA-N
MW163.26 g/mol
LogP3.35
Rot. Bonds6

About (4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine

(4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine (PubChem CID 121307032) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine.

Molecular Properties

Compound Name(4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine
PubChem CID121307032
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine
SMILES[H]/N=C/CC(=C)[C@H](C)C/C=C\C=C
InChIInChI=1S/C11H17N/c1-4-5-6-7-10(2)11(3)8-9-12/h4-6,9-10,12H,1,3,7-8H2,2H3/b6-5-,12-9+/t10-/m1/s1
InChIKeyDMKCITVJLBASFY-YSTARBRHSA-N
XLogP3.35
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
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 (4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine?
The IUPAC name of (4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine (CID 121307032) is (4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine.
What is the SMILES notation for (4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine?
The canonical SMILES for (4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine is [H]/N=C/CC(=C)[C@H](C)C/C=C\C=C.
What is the InChIKey of (4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine?
The InChIKey is DMKCITVJLBASFY-YSTARBRHSA-N. The full InChI is InChI=1S/C11H17N/c1-4-5-6-7-10(2)11(3)8-9-12/h4-6,9-10,12H,1,3,7-8H2,2H3/b6-5-,12-9+/t10-/m1/s1.
What are the key properties of (4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine?
(4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine has a molecular weight of 163.26 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine is sourced from PubChem (CID 121307032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).