N-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide

C9H15NO2 — CID 164672188

IUPACN-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide
SMILESC=C[C@@H](NC(C)=O)[C@@H]1CCCO1
InChIInChI=1S/C9H15NO2/c1-3-8(10-7(2)11)9-5-4-6-12-9/h3,8-9H,1,4-6H2,2H3,(H,10,11)/t8-,9+/m1/s1
InChIKeyYLDLRHONBLUKCO-BDAKNGLRSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds3

About N-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide

N-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide (PubChem CID 164672188) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide
PubChem CID164672188
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide
SMILESC=C[C@@H](NC(C)=O)[C@@H]1CCCO1
InChIInChI=1S/C9H15NO2/c1-3-8(10-7(2)11)9-5-4-6-12-9/h3,8-9H,1,4-6H2,2H3,(H,10,11)/t8-,9+/m1/s1
InChIKeyYLDLRHONBLUKCO-BDAKNGLRSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide
CID 164672103
2-[1-(oxolan-2-yl)ethylamino]-N-prop-2-enylpropanamide
CID 43430646
N-[1-(oxolan-2-yl)ethyl]prop-2-enamide
CID 43616701
3-Methyl-N-(1-(tetrahydrofuran-2-yl)ethyl)but-2-enamide
CID 45878402
N-(2-but-3-enoxyethyl)-1-(oxolan-2-yl)ethanamine
CID 62598167
N-[1-(oxolan-2-yl)ethyl]pent-4-en-1-amine
CID 64314871
N-methyl-1-(oxolan-2-yl)prop-2-en-1-amine
CID 65589188
N-ethyl-1-(oxolan-2-yl)prop-2-en-1-amine
CID 65589190
1-(oxolan-2-yl)-N-propylprop-2-en-1-amine
CID 65589192
N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine
CID 75382729
1-(oxolan-2-yl)-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114284
N-[1-(oxolan-2-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79286308

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide?
The IUPAC name of N-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide (CID 164672188) is N-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide?
The canonical SMILES for N-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide is C=C[C@@H](NC(C)=O)[C@@H]1CCCO1.
What is the InChIKey of N-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide?
The InChIKey is YLDLRHONBLUKCO-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-8(10-7(2)11)9-5-4-6-12-9/h3,8-9H,1,4-6H2,2H3,(H,10,11)/t8-,9+/m1/s1.
What are the key properties of N-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide?
N-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide has a molecular weight of 169.22 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-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide is sourced from PubChem (CID 164672188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).