1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one

C17H26N2O — CID 115994623

IUPAC1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCC(N(CC)CC)C1
InChIInChI=1S/C17H26N2O/c1-4-17(20)15-9-7-8-10-16(15)19-12-11-14(13-19)18(5-2)6-3/h7-10,14H,4-6,11-13H2,1-3H3
InChIKeyVWHDCALANMMHBK-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.20
Rot. Bonds6

About 1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one

1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one (PubChem CID 115994623) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one
PubChem CID115994623
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCC(N(CC)CC)C1
InChIInChI=1S/C17H26N2O/c1-4-17(20)15-9-7-8-10-16(15)19-12-11-14(13-19)18(5-2)6-3/h7-10,14H,4-6,11-13H2,1-3H3
InChIKeyVWHDCALANMMHBK-UHFFFAOYSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one (CID 115994623) is 1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one is CCC(=O)c1ccccc1N1CCC(N(CC)CC)C1.
What is the InChIKey of 1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one?
The InChIKey is VWHDCALANMMHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-17(20)15-9-7-8-10-16(15)19-12-11-14(13-19)18(5-2)6-3/h7-10,14H,4-6,11-13H2,1-3H3.
What are the key properties of 1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one?
1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 115994623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).