1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid

C11H17NO3 — CID 24696348

IUPAC1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid
SMILESCC/C=C(\C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H17NO3/c1-3-5-8(2)10(13)12-7-4-6-9(12)11(14)15/h5,9H,3-4,6-7H2,1-2H3,(H,14,15)/b8-5+
InChIKeyPKNVHYHMBSCSRB-VMPITWQZSA-N
MW211.26 g/mol
LogP1.42
Rot. Bonds3

About 1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid

1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid (PubChem CID 24696348) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid
PubChem CID24696348
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid
SMILESCC/C=C(\C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H17NO3/c1-3-5-8(2)10(13)12-7-4-6-9(12)11(14)15/h5,9H,3-4,6-7H2,1-2H3,(H,14,15)/b8-5+
InChIKeyPKNVHYHMBSCSRB-VMPITWQZSA-N
XLogP1.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(2,5-dimethylhexa-2,4-dienoyl)pyrrolidine-2-carboxylic acid
CID 141145573
4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid
CID 114427226
1-(2-methyl-4-oxooct-2-enoyl)pyrrolidine-2-carboxylic acid
CID 67662162
(2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid
CID 79000788
(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55150970
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
(2S)-1-[(E)-4-carboxy-4-oxobut-2-en-2-yl]pyrrolidine-2-carboxylic acid
CID 137349216
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 59676020
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 131497998
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid (CID 24696348) is 1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid is CC/C=C(\C)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PKNVHYHMBSCSRB-VMPITWQZSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-5-8(2)10(13)12-7-4-6-9(12)11(14)15/h5,9H,3-4,6-7H2,1-2H3,(H,14,15)/b8-5+.
What are the key properties of 1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid?
1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methylpent-2-enoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24696348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).