3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one

C10H16N2O — CID 25057268

IUPAC3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one
SMILESCN(C)[C@@H]1CCN(C2=CC(=O)C2)C1
InChIInChI=1S/C10H16N2O/c1-11(2)8-3-4-12(7-8)9-5-10(13)6-9/h5,8H,3-4,6-7H2,1-2H3/t8-/m1/s1
InChIKeyIWGXAHLRCRRVSL-MRVPVSSYSA-N
MW180.25 g/mol
LogP0.48
Rot. Bonds2

About 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one

3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one (PubChem CID 25057268) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one.

Molecular Properties

Compound Name3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one
PubChem CID25057268
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one
SMILESCN(C)[C@@H]1CCN(C2=CC(=O)C2)C1
InChIInChI=1S/C10H16N2O/c1-11(2)8-3-4-12(7-8)9-5-10(13)6-9/h5,8H,3-4,6-7H2,1-2H3/t8-/m1/s1
InChIKeyIWGXAHLRCRRVSL-MRVPVSSYSA-N
XLogP0.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one?
The IUPAC name of 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one (CID 25057268) is 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one.
What is the SMILES notation for 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one?
The canonical SMILES for 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one is CN(C)[C@@H]1CCN(C2=CC(=O)C2)C1.
What is the InChIKey of 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one?
The InChIKey is IWGXAHLRCRRVSL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-11(2)8-3-4-12(7-8)9-5-10(13)6-9/h5,8H,3-4,6-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one?
3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one is sourced from PubChem (CID 25057268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).