(4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide

C11H16N2 — CID 121451167

IUPAC(4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1CC/C=C\C=C/C(=C)C1
InChIInChI=1S/C11H16N2/c1-9-6-4-2-3-5-7-10(8-9)11(12)13/h2-4,6,10H,1,5,7-8H2,(H3,12,13)/b3-2-,6-4-
InChIKeyYYCAKCVXRQUUMQ-BXAWZMCCSA-N
MW176.26 g/mol
LogP2.39
Rot. Bonds1

About (4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide

(4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide (PubChem CID 121451167) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide.

Molecular Properties

Compound Name(4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide
PubChem CID121451167
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1CC/C=C\C=C/C(=C)C1
InChIInChI=1S/C11H16N2/c1-9-6-4-2-3-5-7-10(8-9)11(12)13/h2-4,6,10H,1,5,7-8H2,(H3,12,13)/b3-2-,6-4-
InChIKeyYYCAKCVXRQUUMQ-BXAWZMCCSA-N
XLogP2.39
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide?
The IUPAC name of (4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide (CID 121451167) is (4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide.
What is the SMILES notation for (4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide?
The canonical SMILES for (4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide is [H]/N=C(\N)C1CC/C=C\C=C/C(=C)C1.
What is the InChIKey of (4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide?
The InChIKey is YYCAKCVXRQUUMQ-BXAWZMCCSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-6-4-2-3-5-7-10(8-9)11(12)13/h2-4,6,10H,1,5,7-8H2,(H3,12,13)/b3-2-,6-4-.
What are the key properties of (4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide?
(4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide has a molecular weight of 176.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide is sourced from PubChem (CID 121451167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).