N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide

C14H17NO2 — CID 14954535

IUPACN-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide
SMILESC=CC[C@@H]1C[C@H](NC(=O)c2ccccc2)CO1
InChIInChI=1S/C14H17NO2/c1-2-6-13-9-12(10-17-13)15-14(16)11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2,(H,15,16)/t12-,13+/m0/s1
InChIKeyJMYRIUYXWFTBAC-QWHCGFSZSA-N
MW231.30 g/mol
LogP2.15
Rot. Bonds4

About N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide

N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide (PubChem CID 14954535) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide
PubChem CID14954535
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide
SMILESC=CC[C@@H]1C[C@H](NC(=O)c2ccccc2)CO1
InChIInChI=1S/C14H17NO2/c1-2-6-13-9-12(10-17-13)15-14(16)11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2,(H,15,16)/t12-,13+/m0/s1
InChIKeyJMYRIUYXWFTBAC-QWHCGFSZSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.15
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

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N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide
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N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
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4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
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oxiran-2-ylmethyl 2-methyl-3-phenylpenta-2,4-dienoate
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide?
The IUPAC name of N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide (CID 14954535) is N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide.
What is the SMILES notation for N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide?
The canonical SMILES for N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide is C=CC[C@@H]1C[C@H](NC(=O)c2ccccc2)CO1.
What is the InChIKey of N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide?
The InChIKey is JMYRIUYXWFTBAC-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-6-13-9-12(10-17-13)15-14(16)11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2,(H,15,16)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide?
N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide has a molecular weight of 231.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide is sourced from PubChem (CID 14954535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).