(1E)-N-butyl-2-methylcyclooctene-1-carboxamide

C14H25NO — CID 134915053

IUPAC(1E)-N-butyl-2-methylcyclooctene-1-carboxamide
SMILESCCCCNC(=O)/C1=C(\C)CCCCCC1
InChIInChI=1S/C14H25NO/c1-3-4-11-15-14(16)13-10-8-6-5-7-9-12(13)2/h3-11H2,1-2H3,(H,15,16)/b13-12+
InChIKeyBDJWNVIIDRJZBE-OUKQBFOZSA-N
MW223.36 g/mol
LogP3.57
Rot. Bonds4

About (1E)-N-butyl-2-methylcyclooctene-1-carboxamide

(1E)-N-butyl-2-methylcyclooctene-1-carboxamide (PubChem CID 134915053) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (1E)-N-butyl-2-methylcyclooctene-1-carboxamide.

Molecular Properties

Compound Name(1E)-N-butyl-2-methylcyclooctene-1-carboxamide
PubChem CID134915053
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(1E)-N-butyl-2-methylcyclooctene-1-carboxamide
SMILESCCCCNC(=O)/C1=C(\C)CCCCCC1
InChIInChI=1S/C14H25NO/c1-3-4-11-15-14(16)13-10-8-6-5-7-9-12(13)2/h3-11H2,1-2H3,(H,15,16)/b13-12+
InChIKeyBDJWNVIIDRJZBE-OUKQBFOZSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-butyl-2-methylcyclooctene-1-carboxamide?
The IUPAC name of (1E)-N-butyl-2-methylcyclooctene-1-carboxamide (CID 134915053) is (1E)-N-butyl-2-methylcyclooctene-1-carboxamide.
What is the SMILES notation for (1E)-N-butyl-2-methylcyclooctene-1-carboxamide?
The canonical SMILES for (1E)-N-butyl-2-methylcyclooctene-1-carboxamide is CCCCNC(=O)/C1=C(\C)CCCCCC1.
What is the InChIKey of (1E)-N-butyl-2-methylcyclooctene-1-carboxamide?
The InChIKey is BDJWNVIIDRJZBE-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-4-11-15-14(16)13-10-8-6-5-7-9-12(13)2/h3-11H2,1-2H3,(H,15,16)/b13-12+.
What are the key properties of (1E)-N-butyl-2-methylcyclooctene-1-carboxamide?
(1E)-N-butyl-2-methylcyclooctene-1-carboxamide has a molecular weight of 223.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-butyl-2-methylcyclooctene-1-carboxamide is sourced from PubChem (CID 134915053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).