N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide

C15H23NO — CID 142206838

IUPACN-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide
SMILESC=C(/C=C\C(C)=C/C)NC(=O)C1CCCCC1
InChIInChI=1S/C15H23NO/c1-4-12(2)10-11-13(3)16-15(17)14-8-6-5-7-9-14/h4,10-11,14H,3,5-9H2,1-2H3,(H,16,17)/b11-10-,12-4-
InChIKeyHSRKIARCFBAYMR-VVDMYENYSA-N
MW233.35 g/mol
LogP3.72
Rot. Bonds4

About N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide

N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide (PubChem CID 142206838) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide
PubChem CID142206838
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide
SMILESC=C(/C=C\C(C)=C/C)NC(=O)C1CCCCC1
InChIInChI=1S/C15H23NO/c1-4-12(2)10-11-13(3)16-15(17)14-8-6-5-7-9-14/h4,10-11,14H,3,5-9H2,1-2H3,(H,16,17)/b11-10-,12-4-
InChIKeyHSRKIARCFBAYMR-VVDMYENYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide
CID 23629184
N-(2-methylprop-2-enyl)cyclopentanecarboxamide
CID 91695769
acetaldehyde;1-cyclohexylethanone;ethane
CID 145408304
N-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]cyclohexanamine
CID 170104744
N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide
CID 4778356
3-cycloheptylbut-3-en-2-one
CID 89298761
N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclopropanecarboxamide
CID 143916021
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
bis[2-(cyclohexanecarbonylamino)-2-oxoethyl] (E)-but-2-enedioate
CID 55355546
N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
ethane;methyl cyclohexanecarboxylate;(3Z)-3-methylhexa-1,3,5-triene
CID 143623579
methyl (Z)-3-(cyclohexanecarbonylamino)prop-2-enoate
CID 71117934

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide (CID 142206838) is N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide is C=C(/C=C\C(C)=C/C)NC(=O)C1CCCCC1.
What is the InChIKey of N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide?
The InChIKey is HSRKIARCFBAYMR-VVDMYENYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-12(2)10-11-13(3)16-15(17)14-8-6-5-7-9-14/h4,10-11,14H,3,5-9H2,1-2H3,(H,16,17)/b11-10-,12-4-.
What are the key properties of N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide?
N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide has a molecular weight of 233.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 142206838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).