1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid

C14H19NO3 — CID 126782847

IUPAC1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C=C(C2CC2)C2CC2)C1
InChIInChI=1S/C14H19NO3/c16-13(15-6-5-11(8-15)14(17)18)7-12(9-1-2-9)10-3-4-10/h7,9-11H,1-6,8H2,(H,17,18)
InChIKeyLAXCKBIDZNACDF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.67
Rot. Bonds4

About 1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid

1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid (PubChem CID 126782847) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid
PubChem CID126782847
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C=C(C2CC2)C2CC2)C1
InChIInChI=1S/C14H19NO3/c16-13(15-6-5-11(8-15)14(17)18)7-12(9-1-2-9)10-3-4-10/h7,9-11H,1-6,8H2,(H,17,18)
InChIKeyLAXCKBIDZNACDF-UHFFFAOYSA-N
XLogP1.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.67
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

pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-carbamoylpyrrolidine-3-carboxylic acid
CID 19959123
1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114082318
1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid
CID 103840976
1-[(E)-3-methyl-5-phenylpent-2-enoyl]pyrrolidine-3-carboxylic acid
CID 132969360
1-(2-cyclopropylacetyl)pyrrolidine-3-carboxylic acid
CID 63007289
1-carbamohydrazonoylpyrrolidine-3-carboxylic acid
CID 85054032
piperidine-1,4-dicarboxylic acid
CID 18542445
1-[3-[4-(trifluoromethyl)phenyl]but-2-enoyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 126767347
1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 10081902
1-pent-4-enoylpyrrolidine-3-carboxylic acid
CID 63030781
1-[(2E)-2-ethenylpenta-2,4-dienoyl]pyrrolidine-3-carboxylic acid
CID 144839908

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid (CID 126782847) is 1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)C=C(C2CC2)C2CC2)C1.
What is the InChIKey of 1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LAXCKBIDZNACDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(15-6-5-11(8-15)14(17)18)7-12(9-1-2-9)10-3-4-10/h7,9-11H,1-6,8H2,(H,17,18).
What are the key properties of 1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid?
1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dicyclopropylprop-2-enoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 126782847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).