(1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide

C10H13NO — CID 138613045

IUPAC(1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide
SMILESC/C1=C(C(N)=O)/C=C\C=C/CC1
InChIInChI=1S/C10H13NO/c1-8-6-4-2-3-5-7-9(8)10(11)12/h2-3,5,7H,4,6H2,1H3,(H2,11,12)/b3-2-,7-5-,9-8+
InChIKeyLMDMBYZCCFALHZ-DLFQGQCKSA-N
MW163.22 g/mol
LogP1.69
Rot. Bonds1

About (1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide

(1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide (PubChem CID 138613045) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide.

Molecular Properties

Compound Name(1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide
PubChem CID138613045
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide
SMILESC/C1=C(C(N)=O)/C=C\C=C/CC1
InChIInChI=1S/C10H13NO/c1-8-6-4-2-3-5-7-9(8)10(11)12/h2-3,5,7H,4,6H2,1H3,(H2,11,12)/b3-2-,7-5-,9-8+
InChIKeyLMDMBYZCCFALHZ-DLFQGQCKSA-N
XLogP1.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide?
The IUPAC name of (1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide (CID 138613045) is (1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide.
What is the SMILES notation for (1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide?
The canonical SMILES for (1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide is C/C1=C(C(N)=O)/C=C\C=C/CC1.
What is the InChIKey of (1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide?
The InChIKey is LMDMBYZCCFALHZ-DLFQGQCKSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-6-4-2-3-5-7-9(8)10(11)12/h2-3,5,7H,4,6H2,1H3,(H2,11,12)/b3-2-,7-5-,9-8+.
What are the key properties of (1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide?
(1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide has a molecular weight of 163.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5Z,7Z)-2-methylcycloocta-1,5,7-triene-1-carboxamide is sourced from PubChem (CID 138613045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).