methyl (E)-3-(oxan-4-ylamino)prop-2-enoate

C9H15NO3 — CID 103239336

IUPACmethyl (E)-3-(oxan-4-ylamino)prop-2-enoate
SMILESCOC(=O)/C=C/NC1CCOCC1
InChIInChI=1S/C9H15NO3/c1-12-9(11)2-5-10-8-3-6-13-7-4-8/h2,5,8,10H,3-4,6-7H2,1H3/b5-2+
InChIKeyVTEONOISNOOKBU-GORDUTHDSA-N
MW185.22 g/mol
LogP0.44
Rot. Bonds3

About methyl (E)-3-(oxan-4-ylamino)prop-2-enoate

methyl (E)-3-(oxan-4-ylamino)prop-2-enoate (PubChem CID 103239336) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (E)-3-(oxan-4-ylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(oxan-4-ylamino)prop-2-enoate
PubChem CID103239336
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (E)-3-(oxan-4-ylamino)prop-2-enoate
SMILESCOC(=O)/C=C/NC1CCOCC1
InChIInChI=1S/C9H15NO3/c1-12-9(11)2-5-10-8-3-6-13-7-4-8/h2,5,8,10H,3-4,6-7H2,1H3/b5-2+
InChIKeyVTEONOISNOOKBU-GORDUTHDSA-N
XLogP0.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(oxan-4-ylamino)prop-2-enoate?
The IUPAC name of methyl (E)-3-(oxan-4-ylamino)prop-2-enoate (CID 103239336) is methyl (E)-3-(oxan-4-ylamino)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(oxan-4-ylamino)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(oxan-4-ylamino)prop-2-enoate is COC(=O)/C=C/NC1CCOCC1.
What is the InChIKey of methyl (E)-3-(oxan-4-ylamino)prop-2-enoate?
The InChIKey is VTEONOISNOOKBU-GORDUTHDSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-9(11)2-5-10-8-3-6-13-7-4-8/h2,5,8,10H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of methyl (E)-3-(oxan-4-ylamino)prop-2-enoate?
methyl (E)-3-(oxan-4-ylamino)prop-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(oxan-4-ylamino)prop-2-enoate is sourced from PubChem (CID 103239336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).