N-(4,4-dimethyloxolan-3-yl)prop-2-enamide

C9H15NO2 — CID 130640588

IUPACN-(4,4-dimethyloxolan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1COCC1(C)C
InChIInChI=1S/C9H15NO2/c1-4-8(11)10-7-5-12-6-9(7,2)3/h4,7H,1,5-6H2,2-3H3,(H,10,11)
InChIKeySRZIDNVAPDIUHE-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.71
Rot. Bonds2

About N-(4,4-dimethyloxolan-3-yl)prop-2-enamide

N-(4,4-dimethyloxolan-3-yl)prop-2-enamide (PubChem CID 130640588) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(4,4-dimethyloxolan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4,4-dimethyloxolan-3-yl)prop-2-enamide
PubChem CID130640588
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(4,4-dimethyloxolan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1COCC1(C)C
InChIInChI=1S/C9H15NO2/c1-4-8(11)10-7-5-12-6-9(7,2)3/h4,7H,1,5-6H2,2-3H3,(H,10,11)
InChIKeySRZIDNVAPDIUHE-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.71
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

(4,4-dimethyloxolan-3-yl)urea
CID 130700520
N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide
CID 114629305
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
CID 3824523
N-spiro[4.5]decan-10-ylprop-2-enamide
CID 130592881
N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide
CID 166408218
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide
CID 12991967
N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine
CID 130729696
5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid
CID 122058026
(3aS,6aR)-2-[(4,4-dimethyloxolan-3-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122016720
4-[[but-3-enyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 114265053
N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide
CID 126831939

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyloxolan-3-yl)prop-2-enamide?
The IUPAC name of N-(4,4-dimethyloxolan-3-yl)prop-2-enamide (CID 130640588) is N-(4,4-dimethyloxolan-3-yl)prop-2-enamide.
What is the SMILES notation for N-(4,4-dimethyloxolan-3-yl)prop-2-enamide?
The canonical SMILES for N-(4,4-dimethyloxolan-3-yl)prop-2-enamide is C=CC(=O)NC1COCC1(C)C.
What is the InChIKey of N-(4,4-dimethyloxolan-3-yl)prop-2-enamide?
The InChIKey is SRZIDNVAPDIUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-8(11)10-7-5-12-6-9(7,2)3/h4,7H,1,5-6H2,2-3H3,(H,10,11).
What are the key properties of N-(4,4-dimethyloxolan-3-yl)prop-2-enamide?
N-(4,4-dimethyloxolan-3-yl)prop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyloxolan-3-yl)prop-2-enamide is sourced from PubChem (CID 130640588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).