1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one

C14H19NO2 — CID 116606055

IUPAC1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one
SMILESO=C(CCC1CCNC1)Cc1ccc(O)cc1
InChIInChI=1S/C14H19NO2/c16-13-4-1-11(2-5-13)9-14(17)6-3-12-7-8-15-10-12/h1-2,4-5,12,15-16H,3,6-10H2
InChIKeyVJQBDPHRDVIBOT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.89
Rot. Bonds5

About 1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one

1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one (PubChem CID 116606055) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one
PubChem CID116606055
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one
SMILESO=C(CCC1CCNC1)Cc1ccc(O)cc1
InChIInChI=1S/C14H19NO2/c16-13-4-1-11(2-5-13)9-14(17)6-3-12-7-8-15-10-12/h1-2,4-5,12,15-16H,3,6-10H2
InChIKeyVJQBDPHRDVIBOT-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606064
1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606081
1-(4-bromophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562297
4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one
CID 116563481
1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one
CID 116605893
1-(2-bromo-4-fluorophenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116605919
1-(4-bromo-2-fluorophenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606101
1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606137
1-pyrrolidin-3-ylhexan-3-one
CID 116605913
2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetic acid
CID 115031443
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
1-(1-methyltriazol-4-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 107062450

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one?
The IUPAC name of 1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one (CID 116606055) is 1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one is O=C(CCC1CCNC1)Cc1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one?
The InChIKey is VJQBDPHRDVIBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-13-4-1-11(2-5-13)9-14(17)6-3-12-7-8-15-10-12/h1-2,4-5,12,15-16H,3,6-10H2.
What are the key properties of 1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one?
1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one is sourced from PubChem (CID 116606055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).