2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid

C8H13NO2 — CID 68707049

IUPAC2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid
SMILESC/C=C/C1CCCN1C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-4-7-5-3-6-9(7)8(10)11/h2,4,7H,3,5-6H2,1H3,(H,10,11)/b4-2+
InChIKeyHWABOHRJBBATDZ-DUXPYHPUSA-N
MW155.20 g/mol
LogP1.70
Rot. Bonds1

About 2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid

2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid (PubChem CID 68707049) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid
PubChem CID68707049
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid
SMILESC/C=C/C1CCCN1C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-4-7-5-3-6-9(7)8(10)11/h2,4,7H,3,5-6H2,1H3,(H,10,11)/b4-2+
InChIKeyHWABOHRJBBATDZ-DUXPYHPUSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-ethenylpyrrolidine-1-carboxylate
CID 13081452
(2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine-1-carboxylic acid
CID 88536584
(2S)-2-[(E)-7,7,8,8,8-pentafluorooct-1-enyl]pyrrolidine-1-carboxylic acid
CID 88536609
(2S)-2-[(Z)-7,7,8,8,8-pentafluorooct-1-enyl]pyrrolidine-1-carboxylic acid
CID 88536662
(2S)-2-(6,6,7,7,7-pentafluorohept-1-enyl)pyrrolidine-1-carboxylic acid
CID 173379482
2-(6,6,7,7,7-Pentafluorohept-1-enyl)pyrrolidine-1-carboxylic acid
CID 173379483
(2S)-2-(7,7,8,8,8-pentafluorooct-1-enyl)pyrrolidine-1-carboxylic acid
CID 173379492
2-(7,7,8,8,8-Pentafluorooct-1-enyl)pyrrolidine-1-carboxylic acid
CID 173379493
methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 162398002
Methyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 14893527
2-Methyl-2,3,4,7-tetrahydroazepine-1-carboxylic acid
CID 22036694
Bis(hept-1-en-3-yl)carbamic acid
CID 22078506

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid (CID 68707049) is 2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid is C/C=C/C1CCCN1C(=O)O.
What is the InChIKey of 2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid?
The InChIKey is HWABOHRJBBATDZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-4-7-5-3-6-9(7)8(10)11/h2,4,7H,3,5-6H2,1H3,(H,10,11)/b4-2+.
What are the key properties of 2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid?
2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68707049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).