methyl 2-(prop-2-enylamino)hexanoate

C10H19NO2 — CID 62353105

IUPACmethyl 2-(prop-2-enylamino)hexanoate
SMILESC=CCNC(CCCC)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-4-6-7-9(10(12)13-3)11-8-5-2/h5,9,11H,2,4,6-8H2,1,3H3
InChIKeyHBZWQPCOWDMVEU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds7

About methyl 2-(prop-2-enylamino)hexanoate

methyl 2-(prop-2-enylamino)hexanoate (PubChem CID 62353105) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-(prop-2-enylamino)hexanoate.

Molecular Properties

Compound Namemethyl 2-(prop-2-enylamino)hexanoate
PubChem CID62353105
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-(prop-2-enylamino)hexanoate
SMILESC=CCNC(CCCC)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-4-6-7-9(10(12)13-3)11-8-5-2/h5,9,11H,2,4,6-8H2,1,3H3
InChIKeyHBZWQPCOWDMVEU-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-bromoprop-2-enylamino)hexanoate
CID 103264452
methyl (2S)-2-(2-methylhexanoylamino)pent-4-enoate
CID 87461138
methyl 2-(but-2-ynylamino)hexanoate
CID 103868535
methyl 2-(2,2-dimethylhydrazinyl)hexanoate
CID 103260976
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
methyl 2-[[(E)-pent-3-enyl]amino]hexanoate
CID 103265585
methyl 2-(propylamino)octanoate
CID 60795997
methyl 2-(3,3-dimethylbutylamino)hexanoate
CID 102673049
methyl 2-(pentylamino)pent-4-enoate
CID 135182519
methyl 2-(4-propan-2-yloxybutylamino)hexanoate
CID 114136317
methyl 2-[(4-hydroxy-2-methylbutyl)amino]hexanoate
CID 103256143
methyl 2-[(5-hydroxy-2,2-dimethylpentyl)amino]hexanoate
CID 106149126

Frequently Asked Questions

What is the IUPAC name of methyl 2-(prop-2-enylamino)hexanoate?
The IUPAC name of methyl 2-(prop-2-enylamino)hexanoate (CID 62353105) is methyl 2-(prop-2-enylamino)hexanoate.
What is the SMILES notation for methyl 2-(prop-2-enylamino)hexanoate?
The canonical SMILES for methyl 2-(prop-2-enylamino)hexanoate is C=CCNC(CCCC)C(=O)OC.
What is the InChIKey of methyl 2-(prop-2-enylamino)hexanoate?
The InChIKey is HBZWQPCOWDMVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-6-7-9(10(12)13-3)11-8-5-2/h5,9,11H,2,4,6-8H2,1,3H3.
What are the key properties of methyl 2-(prop-2-enylamino)hexanoate?
methyl 2-(prop-2-enylamino)hexanoate has a molecular weight of 185.27 g/mol, XLogP of 1.49, 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)hexanoate is sourced from PubChem (CID 62353105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).