N-(oxolan-3-ylmethyl)but-2-enamide

C9H15NO2 — CID 112727361

IUPACN-(oxolan-3-ylmethyl)but-2-enamide
SMILESCC=CC(=O)NCC1CCOC1
InChIInChI=1S/C9H15NO2/c1-2-3-9(11)10-6-8-4-5-12-7-8/h2-3,8H,4-7H2,1H3,(H,10,11)
InChIKeyJYVJTVIWJXFBID-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.72
Rot. Bonds3

About N-(oxolan-3-ylmethyl)but-2-enamide

N-(oxolan-3-ylmethyl)but-2-enamide (PubChem CID 112727361) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)but-2-enamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)but-2-enamide
PubChem CID112727361
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(oxolan-3-ylmethyl)but-2-enamide
SMILESCC=CC(=O)NCC1CCOC1
InChIInChI=1S/C9H15NO2/c1-2-3-9(11)10-6-8-4-5-12-7-8/h2-3,8H,4-7H2,1H3,(H,10,11)
InChIKeyJYVJTVIWJXFBID-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-3-ylmethyl)deca-2,4-dienamide
CID 123263436
(2E,4E)-N-(oxolan-3-ylmethyl)deca-2,4-dienamide
CID 88991000
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
CID 60919659
N-(oxolan-3-ylmethyl)non-2-en-8-ynamide
CID 123797132
2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
CID 62824224
2-(tert-butylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 112730307
(E)-N-[(1-methylazetidin-3-yl)methyl]but-2-enamide
CID 131242291
N-(oxolan-3-ylmethyl)deca-2,4-dien-9-ynamide
CID 123298694
2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide
CID 103515423
4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 81075819
(2E,4E)-7-methyl-N-(oxan-4-ylmethyl)octa-2,4-dienamide
CID 88991036

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)but-2-enamide?
The IUPAC name of N-(oxolan-3-ylmethyl)but-2-enamide (CID 112727361) is N-(oxolan-3-ylmethyl)but-2-enamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)but-2-enamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)but-2-enamide is CC=CC(=O)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)but-2-enamide?
The InChIKey is JYVJTVIWJXFBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-9(11)10-6-8-4-5-12-7-8/h2-3,8H,4-7H2,1H3,(H,10,11).
What are the key properties of N-(oxolan-3-ylmethyl)but-2-enamide?
N-(oxolan-3-ylmethyl)but-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)but-2-enamide is sourced from PubChem (CID 112727361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).