N-propylcyclohexa-1,5-diene-1-carboxamide

C10H15NO — CID 22607943

IUPACN-propylcyclohexa-1,5-diene-1-carboxamide
SMILESCCCNC(=O)C1=CCCC=C1
InChIInChI=1S/C10H15NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h4,6-7H,2-3,5,8H2,1H3,(H,11,12)
InChIKeyOMWGZYMEHUQKNI-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.79
Rot. Bonds3

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

N-propylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 22607943) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-propylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-propylcyclohexa-1,5-diene-1-carboxamide
PubChem CID22607943
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-propylcyclohexa-1,5-diene-1-carboxamide
SMILESCCCNC(=O)C1=CCCC=C1
InChIInChI=1S/C10H15NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h4,6-7H,2-3,5,8H2,1H3,(H,11,12)
InChIKeyOMWGZYMEHUQKNI-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Spilanthol
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N-Ethylnona-2,6-dienamide
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(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-propylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-propylcyclohexa-1,5-diene-1-carboxamide (CID 22607943) is N-propylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-propylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-propylcyclohexa-1,5-diene-1-carboxamide is CCCNC(=O)C1=CCCC=C1.
What is the InChIKey of N-propylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is OMWGZYMEHUQKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h4,6-7H,2-3,5,8H2,1H3,(H,11,12).
What are the key properties of N-propylcyclohexa-1,5-diene-1-carboxamide?
N-propylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 165.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 22607943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).