cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole

C20H27NO3 — CID 89407594

IUPACcyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole
SMILESC=C(C=CC)Cc1ccc2c(c1)OCO2.NC(=O)C1CCCCC1
InChIInChI=1S/C13H14O2.C7H13NO/c1-3-4-10(2)7-11-5-6-12-13(8-11)15-9-14-12;8-7(9)6-4-2-1-3-5-6/h3-6,8H,2,7,9H2,1H3;6H,1-5H2,(H2,8,9)
InChIKeySYLJQYRVPNJAET-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.14
Rot. Bonds4

About cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole

cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole (PubChem CID 89407594) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole.

Molecular Properties

Compound Namecyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole
PubChem CID89407594
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Namecyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole
SMILESC=C(C=CC)Cc1ccc2c(c1)OCO2.NC(=O)C1CCCCC1
InChIInChI=1S/C13H14O2.C7H13NO/c1-3-4-10(2)7-11-5-6-12-13(8-11)15-9-14-12;8-7(9)6-4-2-1-3-5-6/h3-6,8H,2,7,9H2,1H3;6H,1-5H2,(H2,8,9)
InChIKeySYLJQYRVPNJAET-UHFFFAOYSA-N
XLogP4.14
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-cyclobutylethanone
CID 168896088
N'-(1,3-benzodioxol-5-ylmethyl)cyclopentanecarboximidamide
CID 63174498
(E)-N-(1,3-benzodioxol-5-ylmethyl)but-2-enamide
CID 70328335
N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide
CID 56798331
[1-amino-2-(1,3-benzodioxol-5-yl)ethylidene]azanium
CID 6346816
1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44902165
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 27658957
5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole
CID 168896096
1,3-benzodioxol-5-ylmethyl 2-cyclopentylacetate
CID 55313867
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
1-(3-aminoazepan-1-yl)-2-(1,3-benzodioxol-5-yl)ethanone;hydrochloride
CID 154896938
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
CID 78800834

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole?
The IUPAC name of cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole (CID 89407594) is cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole.
What is the SMILES notation for cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole?
The canonical SMILES for cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole is C=C(C=CC)Cc1ccc2c(c1)OCO2.NC(=O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole?
The InChIKey is SYLJQYRVPNJAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2.C7H13NO/c1-3-4-10(2)7-11-5-6-12-13(8-11)15-9-14-12;8-7(9)6-4-2-1-3-5-6/h3-6,8H,2,7,9H2,1H3;6H,1-5H2,(H2,8,9).
What are the key properties of cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole?
cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole has a molecular weight of 329.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole is sourced from PubChem (CID 89407594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).