2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide

C8H13NO2 — CID 166002219

IUPAC2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
SMILESC=C(C[C@H]1CCCO1)C(N)=O
InChIInChI=1S/C8H13NO2/c1-6(8(9)10)5-7-3-2-4-11-7/h7H,1-5H2,(H2,9,10)/t7-/m1/s1
InChIKeyVFEPZCLFKDLODH-SSDOTTSWSA-N
MW155.20 g/mol
LogP0.60
Rot. Bonds3

About 2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide

2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide (PubChem CID 166002219) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
PubChem CID166002219
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
SMILESC=C(C[C@H]1CCCO1)C(N)=O
InChIInChI=1S/C8H13NO2/c1-6(8(9)10)5-7-3-2-4-11-7/h7H,1-5H2,(H2,9,10)/t7-/m1/s1
InChIKeyVFEPZCLFKDLODH-SSDOTTSWSA-N
XLogP0.60
TPSA52.32 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 ≤ 50.60
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

2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
2-(oxolan-2-ylmethyl)prop-2-en-1-ol
CID 117266681
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
(2R)-2-(2-fluoroprop-2-enyl)oxolane
CID 163469182
[[2-(oxolan-2-yl)acetyl]amino]thiourea
CID 65214510
methyl 3-(oxolan-2-ylmethyl)but-3-enoate
CID 117268632
3-(oxolan-2-ylmethyl)hexa-2,5-dienamide
CID 90119998
2-[(oxolan-2-ylmethylamino)methyl]prop-2-enoic acid
CID 103234748
2,2,2-trichloroethyl 2-(oxolan-2-yl)acetate
CID 54427849
3-(oxan-2-ylmethyl)but-3-en-1-amine
CID 117268652
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
N-(2-methylprop-2-enyl)-2-(oxolan-2-yl)acetamide
CID 114618448

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide (CID 166002219) is 2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide is C=C(C[C@H]1CCCO1)C(N)=O.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide?
The InChIKey is VFEPZCLFKDLODH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(8(9)10)5-7-3-2-4-11-7/h7H,1-5H2,(H2,9,10)/t7-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide?
2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 166002219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).