cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone

C17H23NO2 — CID 97133116

IUPACcyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CC[C@H](Cc2ccc(CO)cc2)C1
InChIInChI=1S/C17H23NO2/c19-12-14-6-4-13(5-7-14)10-15-8-9-18(11-15)17(20)16-2-1-3-16/h4-7,15-16,19H,1-3,8-12H2/t15-/m1/s1
InChIKeyFSNVLJLSSGQZSX-OAHLLOKOSA-N
MW273.38 g/mol
LogP2.37
Rot. Bonds4

About cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone

cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 97133116) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
PubChem CID97133116
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namecyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CC[C@H](Cc2ccc(CO)cc2)C1
InChIInChI=1S/C17H23NO2/c19-12-14-6-4-13(5-7-14)10-15-8-9-18(11-15)17(20)16-2-1-3-16/h4-7,15-16,19H,1-3,8-12H2/t15-/m1/s1
InChIKeyFSNVLJLSSGQZSX-OAHLLOKOSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
4-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 70718118
2-(azepan-1-yl)-1-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97132995
4-[[(3R)-1-(1,1-dioxothiane-4-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95889126
[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 72845401
[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 166623326
[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 97119464
N-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 97142329
(1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97124412
(5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 72901048
cis-(1R,2S)-2-[(3R)-3-benzylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131885
cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97319161

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone (CID 97133116) is cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone is O=C(C1CCC1)N1CC[C@H](Cc2ccc(CO)cc2)C1.
What is the InChIKey of cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is FSNVLJLSSGQZSX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO2/c19-12-14-6-4-13(5-7-14)10-15-8-9-18(11-15)17(20)16-2-1-3-16/h4-7,15-16,19H,1-3,8-12H2/t15-/m1/s1.
What are the key properties of cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 273.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97133116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).