1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol

C10H19NO3 — CID 118348327

IUPAC1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol
SMILESCC=COCC(O)CN(C)CC1CO1
InChIInChI=1S/C10H19NO3/c1-3-4-13-7-9(12)5-11(2)6-10-8-14-10/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyCZJRGNYBAZLCGF-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.23
Rot. Bonds7

About 1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol

1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol (PubChem CID 118348327) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol.

Molecular Properties

Compound Name1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol
PubChem CID118348327
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol
SMILESCC=COCC(O)CN(C)CC1CO1
InChIInChI=1S/C10H19NO3/c1-3-4-13-7-9(12)5-11(2)6-10-8-14-10/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyCZJRGNYBAZLCGF-UHFFFAOYSA-N
XLogP0.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol?
The IUPAC name of 1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol (CID 118348327) is 1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol.
What is the SMILES notation for 1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol?
The canonical SMILES for 1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol is CC=COCC(O)CN(C)CC1CO1.
What is the InChIKey of 1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol?
The InChIKey is CZJRGNYBAZLCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-4-13-7-9(12)5-11(2)6-10-8-14-10/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of 1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol?
1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol has a molecular weight of 201.27 g/mol, XLogP of 0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(oxiran-2-ylmethyl)amino]-3-prop-1-enoxypropan-2-ol is sourced from PubChem (CID 118348327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).