ethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate

C10H17NO2 — CID 22299126

IUPACethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/N1CCCC1
InChIInChI=1S/C10H17NO2/c1-3-13-10(12)9(2)8-11-6-4-5-7-11/h8H,3-7H2,1-2H3/b9-8+
InChIKeyQDUTXAQPMSJCGW-CMDGGOBGSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds3

About ethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate

ethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate (PubChem CID 22299126) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate
PubChem CID22299126
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/N1CCCC1
InChIInChI=1S/C10H17NO2/c1-3-13-10(12)9(2)8-11-6-4-5-7-11/h8H,3-7H2,1-2H3/b9-8+
InChIKeyQDUTXAQPMSJCGW-CMDGGOBGSA-N
XLogP1.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-Ethyl 3-(pyrrolidin-1-yl)acrylate
CID 639785
Ethyl 3-(dimethylamino)-2-methylprop-2-enoate
CID 54270575
Ethyl (E)-3-(dimethylamino)-2-methylacrylate
CID 12349168
Diethylamino ethyl methacrylate
CID 13156757
Ethyl 3-(diethylamino)-2-methylprop-2-enoate
CID 57286459
Ethylpyrrolidine methacrylate
CID 129853318
1-Ethenylpyrrolidin-2-one;ethyl 2-methylprop-2-enoate
CID 132054508
Einecs 214-261-5
CID 3034673
Diethyl (1-pyrrolidinemethylene)malonate
CID 294330
ethyl (E)-2-cyano-3-pyrrolidin-1-ylprop-2-enoate
CID 5969342
Ethyl 3-(pyrrolidin-1-yl)acrylate
CID 2748620
3-(Diethylamino)propyl 2-methylprop-2-enoate
CID 18325535

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate?
The IUPAC name of ethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate (CID 22299126) is ethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate.
What is the SMILES notation for ethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate?
The canonical SMILES for ethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate is CCOC(=O)/C(C)=C/N1CCCC1.
What is the InChIKey of ethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate?
The InChIKey is QDUTXAQPMSJCGW-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-13-10(12)9(2)8-11-6-4-5-7-11/h8H,3-7H2,1-2H3/b9-8+.
What are the key properties of ethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate?
ethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-methyl-3-pyrrolidin-1-ylprop-2-enoate is sourced from PubChem (CID 22299126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).