1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one

C12H22N2O — CID 58493122

IUPAC1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one
SMILESC=C(CC1CCN(C(=O)CC)C1)N(C)C
InChIInChI=1S/C12H22N2O/c1-5-12(15)14-7-6-11(9-14)8-10(2)13(3)4/h11H,2,5-9H2,1,3-4H3
InChIKeyFEWBTUHQVMXYPZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.71
Rot. Bonds4

About 1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one

1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 58493122) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one
PubChem CID58493122
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one
SMILESC=C(CC1CCN(C(=O)CC)C1)N(C)C
InChIInChI=1S/C12H22N2O/c1-5-12(15)14-7-6-11(9-14)8-10(2)13(3)4/h11H,2,5-9H2,1,3-4H3
InChIKeyFEWBTUHQVMXYPZ-UHFFFAOYSA-N
XLogP1.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one (CID 58493122) is 1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one is C=C(CC1CCN(C(=O)CC)C1)N(C)C.
What is the InChIKey of 1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is FEWBTUHQVMXYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-12(15)14-7-6-11(9-14)8-10(2)13(3)4/h11H,2,5-9H2,1,3-4H3.
What are the key properties of 1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one?
1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 58493122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).