1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone

C16H21NO — CID 114607499

IUPAC1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)c1ccccc1C1CCC1
InChIInChI=1S/C16H21NO/c18-16(11-13-7-4-10-17-13)15-9-2-1-8-14(15)12-5-3-6-12/h1-2,8-9,12-13,17H,3-7,10-11H2
InChIKeyTXXAPHKBPVNXSR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.28
Rot. Bonds4

About 1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone

1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone (PubChem CID 114607499) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone
PubChem CID114607499
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)c1ccccc1C1CCC1
InChIInChI=1S/C16H21NO/c18-16(11-13-7-4-10-17-13)15-9-2-1-8-14(15)12-5-3-6-12/h1-2,8-9,12-13,17H,3-7,10-11H2
InChIKeyTXXAPHKBPVNXSR-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
CID 79538703
1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone
CID 116916989
2-(azepan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 79539404
2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
CID 79536019
4-chloro-1-(2-cyclobutylphenyl)butan-1-one
CID 114601922
1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone
CID 116917007
1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
CID 71390578
2-(azetidin-2-yl)-1-(2-fluorophenyl)ethanone
CID 84664669
1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833
3-amino-1-(2-cycloheptylphenyl)propan-1-one
CID 117365935

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone (CID 114607499) is 1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone is O=C(CC1CCCN1)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone?
The InChIKey is TXXAPHKBPVNXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16(11-13-7-4-10-17-13)15-9-2-1-8-14(15)12-5-3-6-12/h1-2,8-9,12-13,17H,3-7,10-11H2.
What are the key properties of 1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone?
1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone has a molecular weight of 243.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 114607499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).