About N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide
N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide (PubChem CID 103849552) has the molecular formula C9H15NO3
and a molecular weight of 185.22 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide.
Molecular Properties
| Compound Name | N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide |
| PubChem CID | 103849552 |
| Molecular Formula | C9H15NO3 |
| Molecular Weight | 185.22 g/mol |
| Exact Mass | 185.11 |
| IUPAC Name | N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide |
| SMILES | O=C(NCC1(O)CCOC1)C1CC1 |
| InChI | InChI=1S/C9H15NO3/c11-8(7-1-2-7)10-5-9(12)3-4-13-6-9/h7,12H,1-6H2,(H,10,11) |
| InChIKey | QOOFYACBDKKJBZ-UHFFFAOYSA-N |
| XLogP | -0.34 |
| TPSA | 58.56 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 185.22 |
| LogP ≤ 5 | -0.34 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide (CID 103849552) is N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide is O=C(NCC1(O)CCOC1)C1CC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide?
The InChIKey is QOOFYACBDKKJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(7-1-2-7)10-5-9(12)3-4-13-6-9/h7,12H,1-6H2,(H,10,11).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide has a molecular weight of 185.22 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 103849552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).