3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol

C9H17NO2 — CID 106100570

IUPAC3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol
SMILESC=C(C)CNCC1(O)CCOC1
InChIInChI=1S/C9H17NO2/c1-8(2)5-10-6-9(11)3-4-12-7-9/h10-11H,1,3-7H2,2H3
InChIKeyZUMPLOIAFZKKFS-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.30
Rot. Bonds4

About 3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol

3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol (PubChem CID 106100570) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol
PubChem CID106100570
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol
SMILESC=C(C)CNCC1(O)CCOC1
InChIInChI=1S/C9H17NO2/c1-8(2)5-10-6-9(11)3-4-12-7-9/h10-11H,1,3-7H2,2H3
InChIKeyZUMPLOIAFZKKFS-UHFFFAOYSA-N
XLogP0.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol (CID 106100570) is 3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol is C=C(C)CNCC1(O)CCOC1.
What is the InChIKey of 3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol?
The InChIKey is ZUMPLOIAFZKKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)5-10-6-9(11)3-4-12-7-9/h10-11H,1,3-7H2,2H3.
What are the key properties of 3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol?
3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol has a molecular weight of 171.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylprop-2-enylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).