N-(oxolan-3-ylmethyl)non-2-en-8-ynamide

C14H21NO2 — CID 123797132

IUPACN-(oxolan-3-ylmethyl)non-2-en-8-ynamide
SMILESC#CCCCCC=CC(=O)NCC1CCOC1
InChIInChI=1S/C14H21NO2/c1-2-3-4-5-6-7-8-14(16)15-11-13-9-10-17-12-13/h1,7-8,13H,3-6,9-12H2,(H,15,16)
InChIKeyTULXODDKWBQOTQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.89
Rot. Bonds7

About N-(oxolan-3-ylmethyl)non-2-en-8-ynamide

N-(oxolan-3-ylmethyl)non-2-en-8-ynamide (PubChem CID 123797132) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)non-2-en-8-ynamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)non-2-en-8-ynamide
PubChem CID123797132
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(oxolan-3-ylmethyl)non-2-en-8-ynamide
SMILESC#CCCCCC=CC(=O)NCC1CCOC1
InChIInChI=1S/C14H21NO2/c1-2-3-4-5-6-7-8-14(16)15-11-13-9-10-17-12-13/h1,7-8,13H,3-6,9-12H2,(H,15,16)
InChIKeyTULXODDKWBQOTQ-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.89
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide
CID 123298694
N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide
CID 88962638
N-(oxolan-3-ylmethyl)deca-2,4-dienamide
CID 123263436
(2E,4E)-N-(oxolan-3-ylmethyl)deca-2,4-dienamide
CID 88991000
N-(oxolan-3-ylmethyl)but-2-enamide
CID 112727361
6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
CID 60919659
2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
CID 62824224
(2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
CID 89484445
2-(tert-butylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 112730307
2-(cyclopentylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 60920124
N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide
CID 62825062
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)non-2-en-8-ynamide?
The IUPAC name of N-(oxolan-3-ylmethyl)non-2-en-8-ynamide (CID 123797132) is N-(oxolan-3-ylmethyl)non-2-en-8-ynamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)non-2-en-8-ynamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)non-2-en-8-ynamide is C#CCCCCC=CC(=O)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)non-2-en-8-ynamide?
The InChIKey is TULXODDKWBQOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-3-4-5-6-7-8-14(16)15-11-13-9-10-17-12-13/h1,7-8,13H,3-6,9-12H2,(H,15,16).
What are the key properties of N-(oxolan-3-ylmethyl)non-2-en-8-ynamide?
N-(oxolan-3-ylmethyl)non-2-en-8-ynamide has a molecular weight of 235.33 g/mol, XLogP of 1.89, 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)non-2-en-8-ynamide is sourced from PubChem (CID 123797132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).