ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate

C11H20N2O2 — CID 62976971

IUPACethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
SMILESC=CCNC1(C(=O)OCC)CCN(C)C1
InChIInChI=1S/C11H20N2O2/c1-4-7-12-11(10(14)15-5-2)6-8-13(3)9-11/h4,12H,1,5-9H2,2-3H3
InChIKeyABZMBEUJLUGTBM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.40
Rot. Bonds5

About ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate

ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate (PubChem CID 62976971) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
PubChem CID62976971
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nameethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
SMILESC=CCNC1(C(=O)OCC)CCN(C)C1
InChIInChI=1S/C11H20N2O2/c1-4-7-12-11(10(14)15-5-2)6-8-13(3)9-11/h4,12H,1,5-9H2,2-3H3
InChIKeyABZMBEUJLUGTBM-UHFFFAOYSA-N
XLogP0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-methyl-4-(prop-2-enylamino)azepane-4-carboxylate
CID 65075484
ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate
CID 103439526
ethyl 1,1-dioxo-4-(prop-2-enylamino)thiane-4-carboxylate
CID 62354104
ethyl 1-benzyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
CID 62353874
ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
CID 62353118
methyl 1-methyl-4-(prop-2-enylamino)azepane-4-carboxylate
CID 65075483
ethyl 4-tert-butyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
CID 55063384
methyl 1-propan-2-yl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
CID 62353674
methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate
CID 62976966
methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate
CID 62977346
methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate
CID 62977159
methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate
CID 62977535

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate (CID 62976971) is ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate is C=CCNC1(C(=O)OCC)CCN(C)C1.
What is the InChIKey of ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate?
The InChIKey is ABZMBEUJLUGTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-7-12-11(10(14)15-5-2)6-8-13(3)9-11/h4,12H,1,5-9H2,2-3H3.
What are the key properties of ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate?
ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate is sourced from PubChem (CID 62976971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).