N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide

C10H15NO2 — CID 136588922

IUPACN-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C10H15NO2/c1-2-9(12)11-8-5-6-13-10(8)7-3-4-7/h2,7-8,10H,1,3-6H2,(H,11,12)/t8-,10+/m1/s1
InChIKeyCCBJXGXWELNXGV-SCZZXKLOSA-N
MW181.23 g/mol
LogP0.86
Rot. Bonds3

About N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide

N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide (PubChem CID 136588922) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide
PubChem CID136588922
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C10H15NO2/c1-2-9(12)11-8-5-6-13-10(8)7-3-4-7/h2,7-8,10H,1,3-6H2,(H,11,12)/t8-,10+/m1/s1
InChIKeyCCBJXGXWELNXGV-SCZZXKLOSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.86
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-(2-cyclopropyloxolan-3-yl)-2-methoxyacetamide
CID 103864240
1-(2-cyclopropyloxolan-3-yl)-3-(oxolan-3-yl)urea
CID 103864108
4-amino-N-(2-cyclopropyloxolan-3-yl)oxane-4-carboxamide
CID 103951092
N-(2-cyclopropyloxolan-3-yl)-2-(ethylamino)-2-methylpropanamide
CID 114119028
N-(2-cyclopropyloxolan-3-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 113341333
N-(2-cyclopropyloxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 103865039
2,2,2-trifluoro-N-[(2S,3S)-2-piperidin-4-yloxolan-3-yl]acetamide
CID 124708692
N-(2-cyclopropyloxolan-3-yl)-2-hydrazinylbenzamide
CID 114120833
N-(2-cyclopropyloxolan-3-yl)-2H-triazole-4-carboxamide
CID 103865049
2-[(2-cyclopropyloxolan-3-yl)amino]-N-(oxan-4-yl)acetamide
CID 103580741
2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride
CID 162367737
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide
CID 114118434

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide?
The IUPAC name of N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide (CID 136588922) is N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide?
The canonical SMILES for N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide is C=CC(=O)N[C@@H]1CCO[C@H]1C1CC1.
What is the InChIKey of N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide?
The InChIKey is CCBJXGXWELNXGV-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-9(12)11-8-5-6-13-10(8)7-3-4-7/h2,7-8,10H,1,3-6H2,(H,11,12)/t8-,10+/m1/s1.
What are the key properties of N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide?
N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide has a molecular weight of 181.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide is sourced from PubChem (CID 136588922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).