2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide

C14H21NO — CID 123622647

IUPAC2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide
SMILESC=CC=C(C=C)N(C)C(=O)CC1CCCC1
InChIInChI=1S/C14H21NO/c1-4-8-13(5-2)15(3)14(16)11-12-9-6-7-10-12/h4-5,8,12H,1-2,6-7,9-11H2,3H3
InChIKeyCWKOQRHCTIVYMD-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.28
Rot. Bonds5

About 2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide

2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide (PubChem CID 123622647) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide
PubChem CID123622647
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide
SMILESC=CC=C(C=C)N(C)C(=O)CC1CCCC1
InChIInChI=1S/C14H21NO/c1-4-8-13(5-2)15(3)14(16)11-12-9-6-7-10-12/h4-5,8,12H,1-2,6-7,9-11H2,3H3
InChIKeyCWKOQRHCTIVYMD-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide?
The IUPAC name of 2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide (CID 123622647) is 2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide?
The canonical SMILES for 2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide is C=CC=C(C=C)N(C)C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide?
The InChIKey is CWKOQRHCTIVYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-8-13(5-2)15(3)14(16)11-12-9-6-7-10-12/h4-5,8,12H,1-2,6-7,9-11H2,3H3.
What are the key properties of 2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide?
2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide has a molecular weight of 219.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide is sourced from PubChem (CID 123622647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).