1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide

C13H20N2O2 — CID 152768164

IUPAC1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCCCCCC1(C(N)=O)C=CC=C(C(N)=O)C1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-7-13(12(15)17)8-5-6-10(9-13)11(14)16/h5-6,8H,2-4,7,9H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyFXHNLJWIXGPOSO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.41
Rot. Bonds6

About 1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide

1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide (PubChem CID 152768164) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide
PubChem CID152768164
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCCCCCC1(C(N)=O)C=CC=C(C(N)=O)C1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-7-13(12(15)17)8-5-6-10(9-13)11(14)16/h5-6,8H,2-4,7,9H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyFXHNLJWIXGPOSO-UHFFFAOYSA-N
XLogP1.41
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide
CID 175781339
heptadecane;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 175287614
heptane;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 161283855
1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 154390068
1-ethyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 152748812
2,6-dichloro-6-pentylcyclohexa-2,4-diene-1-carboxylic acid
CID 71093592
1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid;octan-1-ol
CID 161038565
5-chloro-5-hexylcyclohexa-1,3-dien-1-amine
CID 139793977
5-bromo-5-hexylcyclohexa-1,3-dien-1-amine
CID 139793982
5-bromo-5-dodecylcyclohexa-1,3-dien-1-amine
CID 139793988
1-bromoundecane;(1S)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174420956
1-hexyl-4-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 150777608

Frequently Asked Questions

What is the IUPAC name of 1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide?
The IUPAC name of 1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide (CID 152768164) is 1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide.
What is the SMILES notation for 1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide?
The canonical SMILES for 1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide is CCCCCC1(C(N)=O)C=CC=C(C(N)=O)C1.
What is the InChIKey of 1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide?
The InChIKey is FXHNLJWIXGPOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-4-7-13(12(15)17)8-5-6-10(9-13)11(14)16/h5-6,8H,2-4,7,9H2,1H3,(H2,14,16)(H2,15,17).
What are the key properties of 1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide?
1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide is sourced from PubChem (CID 152768164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).