diethylaminomethyl 2-methylprop-2-enoate

C9H17NO2 — CID 10171274

IUPACdiethylaminomethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCN(CC)CC
InChIInChI=1S/C9H17NO2/c1-5-10(6-2)7-12-9(11)8(3)4/h3,5-7H2,1-2,4H3
InChIKeyKPGRTCPQLMJHFQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.40
Rot. Bonds5

About diethylaminomethyl 2-methylprop-2-enoate

diethylaminomethyl 2-methylprop-2-enoate (PubChem CID 10171274) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is diethylaminomethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namediethylaminomethyl 2-methylprop-2-enoate
PubChem CID10171274
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namediethylaminomethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCN(CC)CC
InChIInChI=1S/C9H17NO2/c1-5-10(6-2)7-12-9(11)8(3)4/h3,5-7H2,1-2,4H3
InChIKeyKPGRTCPQLMJHFQ-UHFFFAOYSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethylaminomethyl 2-methylprop-2-enoate?
The IUPAC name of diethylaminomethyl 2-methylprop-2-enoate (CID 10171274) is diethylaminomethyl 2-methylprop-2-enoate.
What is the SMILES notation for diethylaminomethyl 2-methylprop-2-enoate?
The canonical SMILES for diethylaminomethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCN(CC)CC.
What is the InChIKey of diethylaminomethyl 2-methylprop-2-enoate?
The InChIKey is KPGRTCPQLMJHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-10(6-2)7-12-9(11)8(3)4/h3,5-7H2,1-2,4H3.
What are the key properties of diethylaminomethyl 2-methylprop-2-enoate?
diethylaminomethyl 2-methylprop-2-enoate has a molecular weight of 171.24 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethylaminomethyl 2-methylprop-2-enoate is sourced from PubChem (CID 10171274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).