(5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde

C10H11NO — CID 176526109

IUPAC(5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde
SMILESCC1=C=C(C=O)/C(N)=C\C=C/C1
InChIInChI=1S/C10H11NO/c1-8-4-2-3-5-10(11)9(6-8)7-12/h2-3,5,7H,4,11H2,1H3/b3-2-,10-5+
InChIKeyKTZDSDFEBYWLGH-IPIUBCRSSA-N
MW161.20 g/mol
LogP1.46
Rot. Bonds1

About (5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde

(5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde (PubChem CID 176526109) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde.

Molecular Properties

Compound Name(5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde
PubChem CID176526109
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde
SMILESCC1=C=C(C=O)/C(N)=C\C=C/C1
InChIInChI=1S/C10H11NO/c1-8-4-2-3-5-10(11)9(6-8)7-12/h2-3,5,7H,4,11H2,1H3/b3-2-,10-5+
InChIKeyKTZDSDFEBYWLGH-IPIUBCRSSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde?
The IUPAC name of (5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde (CID 176526109) is (5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde.
What is the SMILES notation for (5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde?
The canonical SMILES for (5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde is CC1=C=C(C=O)/C(N)=C\C=C/C1.
What is the InChIKey of (5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde?
The InChIKey is KTZDSDFEBYWLGH-IPIUBCRSSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-4-2-3-5-10(11)9(6-8)7-12/h2-3,5,7H,4,11H2,1H3/b3-2-,10-5+.
What are the key properties of (5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde?
(5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-8-amino-3-methylcycloocta-1,2,5,7-tetraene-1-carbaldehyde is sourced from PubChem (CID 176526109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).