1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide

C12H18N4O3 — CID 123595429

IUPAC1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)N2CCCC2C(N)=O)N1
InChIInChI=1S/C12H18N4O3/c1-2-10(17)16-7-5-8(14-16)12(19)15-6-3-4-9(15)11(13)18/h2,8-9,14H,1,3-7H2,(H2,13,18)
InChIKeyGOBMTGSKNXSDLP-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.25
Rot. Bonds3

About 1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide

1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 123595429) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID123595429
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)N2CCCC2C(N)=O)N1
InChIInChI=1S/C12H18N4O3/c1-2-10(17)16-7-5-8(14-16)12(19)15-6-3-4-9(15)11(13)18/h2,8-9,14H,1,3-7H2,(H2,13,18)
InChIKeyGOBMTGSKNXSDLP-UHFFFAOYSA-N
XLogP-1.25
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-N-(pyrrolidine-2-carbonylamino)formamide;pyrrolidine
CID 143394738
N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-prop-2-enoylhydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
CID 165384416
(2S,4S)-4-amino-1-[(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide
CID 56703111
(2S,4S)-4-amino-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 56707528
(4R)-4-amino-1-[(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)acetyl]-N,N-diethyl-L-prolinamide
CID 56746825

Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide (CID 123595429) is 1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide is C=CC(=O)N1CCC(C(=O)N2CCCC2C(N)=O)N1.
What is the InChIKey of 1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is GOBMTGSKNXSDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-10(17)16-7-5-8(14-16)12(19)15-6-3-4-9(15)11(13)18/h2,8-9,14H,1,3-7H2,(H2,13,18).
What are the key properties of 1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide?
1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123595429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).