1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone

C14H20N2O2 — CID 117004457

IUPAC1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(N2CCC(NCCO)C2)c1
InChIInChI=1S/C14H20N2O2/c1-11(18)12-3-2-4-14(9-12)16-7-5-13(10-16)15-6-8-17/h2-4,9,13,15,17H,5-8,10H2,1H3
InChIKeyHGGFTIPUJVXLDW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.05
Rot. Bonds5

About 1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone

1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone (PubChem CID 117004457) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone
PubChem CID117004457
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(N2CCC(NCCO)C2)c1
InChIInChI=1S/C14H20N2O2/c1-11(18)12-3-2-4-14(9-12)16-7-5-13(10-16)15-6-8-17/h2-4,9,13,15,17H,5-8,10H2,1H3
InChIKeyHGGFTIPUJVXLDW-UHFFFAOYSA-N
XLogP1.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone
CID 115025139
methyl 1-(3-acetylphenyl)pyrrolidine-3-carboxylate
CID 117028370
2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004204
1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine
CID 60861118
1-(3-acetylphenyl)piperidine-3-carbonitrile
CID 117008107
3-[[[1-(3-bromophenyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122033615
1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone
CID 79671280
1-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84785308
1-[3-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanone
CID 76702888
1-[3-(3-cyclopropyl-4-hydroxypyrrolidin-1-yl)phenyl]ethanone
CID 144853416
ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate
CID 91526545
1-[3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84793807

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone (CID 117004457) is 1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone is CC(=O)c1cccc(N2CCC(NCCO)C2)c1.
What is the InChIKey of 1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone?
The InChIKey is HGGFTIPUJVXLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(18)12-3-2-4-14(9-12)16-7-5-13(10-16)15-6-8-17/h2-4,9,13,15,17H,5-8,10H2,1H3.
What are the key properties of 1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone?
1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 117004457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).