N-(oxolan-2-ylmethyl)prop-2-enamide

C8H13NO2 — CID 15332973

IUPACN-(oxolan-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1CCCO1
InChIInChI=1S/C8H13NO2/c1-2-8(10)9-6-7-4-3-5-11-7/h2,7H,1,3-6H2,(H,9,10)
InChIKeyKPEKHIHQXHOSRM-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.47
Rot. Bonds3

About N-(oxolan-2-ylmethyl)prop-2-enamide

N-(oxolan-2-ylmethyl)prop-2-enamide (PubChem CID 15332973) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)prop-2-enamide
PubChem CID15332973
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(oxolan-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1CCCO1
InChIInChI=1S/C8H13NO2/c1-2-8(10)9-6-7-4-3-5-11-7/h2,7H,1,3-6H2,(H,9,10)
InChIKeyKPEKHIHQXHOSRM-UHFFFAOYSA-N
XLogP0.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.47
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-2-ylmethyl)-N-prop-2-enylbutanediamide
CID 51362590
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]azanium
CID 7437115
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7034176

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)prop-2-enamide?
The IUPAC name of N-(oxolan-2-ylmethyl)prop-2-enamide (CID 15332973) is N-(oxolan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)prop-2-enamide is C=CC(=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)prop-2-enamide?
The InChIKey is KPEKHIHQXHOSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-8(10)9-6-7-4-3-5-11-7/h2,7H,1,3-6H2,(H,9,10).
What are the key properties of N-(oxolan-2-ylmethyl)prop-2-enamide?
N-(oxolan-2-ylmethyl)prop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 15332973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).