methyl 2-(prop-2-enylamino)hex-5-enoate

C10H17NO2 — CID 15356354

IUPACmethyl 2-(prop-2-enylamino)hex-5-enoate
SMILESC=CCCC(NCC=C)C(=O)OC
InChIInChI=1S/C10H17NO2/c1-4-6-7-9(10(12)13-3)11-8-5-2/h4-5,9,11H,1-2,6-8H2,3H3
InChIKeyYUZDMNPLNAOPIE-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds7

About methyl 2-(prop-2-enylamino)hex-5-enoate

methyl 2-(prop-2-enylamino)hex-5-enoate (PubChem CID 15356354) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-(prop-2-enylamino)hex-5-enoate.

Molecular Properties

Compound Namemethyl 2-(prop-2-enylamino)hex-5-enoate
PubChem CID15356354
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-(prop-2-enylamino)hex-5-enoate
SMILESC=CCCC(NCC=C)C(=O)OC
InChIInChI=1S/C10H17NO2/c1-4-6-7-9(10(12)13-3)11-8-5-2/h4-5,9,11H,1-2,6-8H2,3H3
InChIKeyYUZDMNPLNAOPIE-UHFFFAOYSA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
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 methyl 2-(prop-2-enylamino)hex-5-enoate?
The IUPAC name of methyl 2-(prop-2-enylamino)hex-5-enoate (CID 15356354) is methyl 2-(prop-2-enylamino)hex-5-enoate.
What is the SMILES notation for methyl 2-(prop-2-enylamino)hex-5-enoate?
The canonical SMILES for methyl 2-(prop-2-enylamino)hex-5-enoate is C=CCCC(NCC=C)C(=O)OC.
What is the InChIKey of methyl 2-(prop-2-enylamino)hex-5-enoate?
The InChIKey is YUZDMNPLNAOPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-6-7-9(10(12)13-3)11-8-5-2/h4-5,9,11H,1-2,6-8H2,3H3.
What are the key properties of methyl 2-(prop-2-enylamino)hex-5-enoate?
methyl 2-(prop-2-enylamino)hex-5-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(prop-2-enylamino)hex-5-enoate is sourced from PubChem (CID 15356354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).