methyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate

C11H19NO2 — CID 60649441

IUPACmethyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate
SMILESC=CCN(CC=C)CC(C)C(=O)OC
InChIInChI=1S/C11H19NO2/c1-5-7-12(8-6-2)9-10(3)11(13)14-4/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyFCRMGJZSCVFBHN-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds7

About methyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate

methyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate (PubChem CID 60649441) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate
PubChem CID60649441
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate
SMILESC=CCN(CC=C)CC(C)C(=O)OC
InChIInChI=1S/C11H19NO2/c1-5-7-12(8-6-2)9-10(3)11(13)14-4/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyFCRMGJZSCVFBHN-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
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 3-[bis(prop-2-enyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate (CID 60649441) is methyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate is C=CCN(CC=C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate?
The InChIKey is FCRMGJZSCVFBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-7-12(8-6-2)9-10(3)11(13)14-4/h5-6,10H,1-2,7-9H2,3-4H3.
What are the key properties of methyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate?
methyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate has a molecular weight of 197.28 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[bis(prop-2-enyl)amino]-2-methylpropanoate is sourced from PubChem (CID 60649441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).