N-butylcyclohexa-1,5-diene-1-carboxamide

C11H17NO — CID 22887410

IUPACN-butylcyclohexa-1,5-diene-1-carboxamide
SMILESCCCCNC(=O)C1=CCCC=C1
InChIInChI=1S/C11H17NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h5,7-8H,2-4,6,9H2,1H3,(H,12,13)
InChIKeyOXGYWSXHIKFHLL-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.18
Rot. Bonds4

About N-butylcyclohexa-1,5-diene-1-carboxamide

N-butylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 22887410) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-butylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-butylcyclohexa-1,5-diene-1-carboxamide
PubChem CID22887410
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-butylcyclohexa-1,5-diene-1-carboxamide
SMILESCCCCNC(=O)C1=CCCC=C1
InChIInChI=1S/C11H17NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h5,7-8H,2-4,6,9H2,1H3,(H,12,13)
InChIKeyOXGYWSXHIKFHLL-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.18
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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Related Compounds

Pellitorine
CID 5318516
Spilanthol
CID 5353001
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide
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N-Ethylnona-2,6-dienamide
CID 57351458
(E,E)-2,4-Decadienoic isobutylamide
CID 11368078
Dodeca-2E,4E,8Z,10Z-Tetraenoic Acid Isobutylamide
CID 11413953
2,4-Undecadiene-8,10-diynoic acid isobutylamide
CID 15609884
(2E,4E,8Z)-N-isobutyltetradeca-2,4,8-trienamide
CID 73355665
(2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 6440539
8,9-Dehydropellitorine
CID 14427412
Dodeca-2E,4E,8Z-Trienoic Acid Isobutylamide
CID 15609890
(2E,4E,8E,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 12315250

Frequently Asked Questions

What is the IUPAC name of N-butylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-butylcyclohexa-1,5-diene-1-carboxamide (CID 22887410) is N-butylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-butylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-butylcyclohexa-1,5-diene-1-carboxamide is CCCCNC(=O)C1=CCCC=C1.
What is the InChIKey of N-butylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is OXGYWSXHIKFHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h5,7-8H,2-4,6,9H2,1H3,(H,12,13).
What are the key properties of N-butylcyclohexa-1,5-diene-1-carboxamide?
N-butylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 22887410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).