1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide

C14H21N3O2 — CID 116676327

IUPAC1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCC(C(=O)N1CCCC1C(=O)NC1CC1)=C1CNC1
InChIInChI=1S/C14H21N3O2/c1-9(10-7-15-8-10)14(19)17-6-2-3-12(17)13(18)16-11-4-5-11/h11-12,15H,2-8H2,1H3,(H,16,18)
InChIKeyTYFZCFDWRWJGSL-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.18
Rot. Bonds3

About 1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide

1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 116676327) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID116676327
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCC(C(=O)N1CCCC1C(=O)NC1CC1)=C1CNC1
InChIInChI=1S/C14H21N3O2/c1-9(10-7-15-8-10)14(19)17-6-2-3-12(17)13(18)16-11-4-5-11/h11-12,15H,2-8H2,1H3,(H,16,18)
InChIKeyTYFZCFDWRWJGSL-UHFFFAOYSA-N
XLogP0.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylmorpholine-3-carboxamide
CID 116678797
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
1-[2-(azetidin-3-yl)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 116676326
(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
N-cyclopropyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 61029481
4-[2-(azetidin-3-ylidene)propanoyl]-N-methylmorpholine-3-carboxamide
CID 116678793
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61163718
(2S)-N-cyclopropyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 93369523
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide (CID 116676327) is 1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide is CC(C(=O)N1CCCC1C(=O)NC1CC1)=C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is TYFZCFDWRWJGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(10-7-15-8-10)14(19)17-6-2-3-12(17)13(18)16-11-4-5-11/h11-12,15H,2-8H2,1H3,(H,16,18).
What are the key properties of 1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide?
1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-ylidene)propanoyl]-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 116676327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).