N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide

C15H21NO2 — CID 123298694

IUPACN-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide
SMILESC#CCCCC=CC=CC(=O)NCC1CCOC1
InChIInChI=1S/C15H21NO2/c1-2-3-4-5-6-7-8-9-15(17)16-12-14-10-11-18-13-14/h1,6-9,14H,3-5,10-13H2,(H,16,17)
InChIKeyBENGJICIHMJLKQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.06
Rot. Bonds7

About N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide

N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide (PubChem CID 123298694) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide
PubChem CID123298694
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide
SMILESC#CCCCC=CC=CC(=O)NCC1CCOC1
InChIInChI=1S/C15H21NO2/c1-2-3-4-5-6-7-8-9-15(17)16-12-14-10-11-18-13-14/h1,6-9,14H,3-5,10-13H2,(H,16,17)
InChIKeyBENGJICIHMJLKQ-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide?
The IUPAC name of N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide (CID 123298694) is N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide is C#CCCCC=CC=CC(=O)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide?
The InChIKey is BENGJICIHMJLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-4-5-6-7-8-9-15(17)16-12-14-10-11-18-13-14/h1,6-9,14H,3-5,10-13H2,(H,16,17).
What are the key properties of N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide?
N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide has a molecular weight of 247.34 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide is sourced from PubChem (CID 123298694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).