1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine

C11H12N4 — CID 163953153

IUPAC1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine
SMILESN#CN/C(N)=N/C1=C/C=C\C/C=C\C=C1
InChIInChI=1S/C11H12N4/c12-9-14-11(13)15-10-7-5-3-1-2-4-6-8-10/h1,3-8H,2H2,(H3,13,14,15)/b3-1-,6-4-,7-5?,10-8+
InChIKeySBBNRQFRKSMTPG-YNJLFCOJSA-N
MW200.24 g/mol
LogP1.33
Rot. Bonds1

About 1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine

1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine (PubChem CID 163953153) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine.

Molecular Properties

Compound Name1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine
PubChem CID163953153
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine
SMILESN#CN/C(N)=N/C1=C/C=C\C/C=C\C=C1
InChIInChI=1S/C11H12N4/c12-9-14-11(13)15-10-7-5-3-1-2-4-6-8-10/h1,3-8H,2H2,(H3,13,14,15)/b3-1-,6-4-,7-5?,10-8+
InChIKeySBBNRQFRKSMTPG-YNJLFCOJSA-N
XLogP1.33
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'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 1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine?
The IUPAC name of 1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine (CID 163953153) is 1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine.
What is the SMILES notation for 1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine?
The canonical SMILES for 1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine is N#CN/C(N)=N/C1=C/C=C\C/C=C\C=C1.
What is the InChIKey of 1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine?
The InChIKey is SBBNRQFRKSMTPG-YNJLFCOJSA-N. The full InChI is InChI=1S/C11H12N4/c12-9-14-11(13)15-10-7-5-3-1-2-4-6-8-10/h1,3-8H,2H2,(H3,13,14,15)/b3-1-,6-4-,7-5?,10-8+.
What are the key properties of 1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine?
1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine has a molecular weight of 200.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine is sourced from PubChem (CID 163953153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).