(1E)-N-butylcyclooctene-1-carboxamide

C13H23NO — CID 134988362

IUPAC(1E)-N-butylcyclooctene-1-carboxamide
SMILESCCCCNC(=O)/C1=C/CCCCCC1
InChIInChI=1S/C13H23NO/c1-2-3-11-14-13(15)12-9-7-5-4-6-8-10-12/h9H,2-8,10-11H2,1H3,(H,14,15)/b12-9+
InChIKeyADPMROUGINSCQQ-FMIVXFBMSA-N
MW209.33 g/mol
LogP3.18
Rot. Bonds4

About (1E)-N-butylcyclooctene-1-carboxamide

(1E)-N-butylcyclooctene-1-carboxamide (PubChem CID 134988362) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (1E)-N-butylcyclooctene-1-carboxamide.

Molecular Properties

Compound Name(1E)-N-butylcyclooctene-1-carboxamide
PubChem CID134988362
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(1E)-N-butylcyclooctene-1-carboxamide
SMILESCCCCNC(=O)/C1=C/CCCCCC1
InChIInChI=1S/C13H23NO/c1-2-3-11-14-13(15)12-9-7-5-4-6-8-10-12/h9H,2-8,10-11H2,1H3,(H,14,15)/b12-9+
InChIKeyADPMROUGINSCQQ-FMIVXFBMSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.18
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-butylcyclooctene-1-carboxamide?
The IUPAC name of (1E)-N-butylcyclooctene-1-carboxamide (CID 134988362) is (1E)-N-butylcyclooctene-1-carboxamide.
What is the SMILES notation for (1E)-N-butylcyclooctene-1-carboxamide?
The canonical SMILES for (1E)-N-butylcyclooctene-1-carboxamide is CCCCNC(=O)/C1=C/CCCCCC1.
What is the InChIKey of (1E)-N-butylcyclooctene-1-carboxamide?
The InChIKey is ADPMROUGINSCQQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-3-11-14-13(15)12-9-7-5-4-6-8-10-12/h9H,2-8,10-11H2,1H3,(H,14,15)/b12-9+.
What are the key properties of (1E)-N-butylcyclooctene-1-carboxamide?
(1E)-N-butylcyclooctene-1-carboxamide has a molecular weight of 209.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-butylcyclooctene-1-carboxamide is sourced from PubChem (CID 134988362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).