(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone

C16H21NO — CID 110874334

IUPAC(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C16H21NO/c18-16(15-7-4-8-15)17-10-9-14(12-17)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2
InChIKeyDYLAWEBKCIOOKC-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.88
Rot. Bonds3

About (3-benzylpyrrolidin-1-yl)-cyclobutylmethanone

(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone (PubChem CID 110874334) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (3-benzylpyrrolidin-1-yl)-cyclobutylmethanone.

Molecular Properties

Compound Name(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
PubChem CID110874334
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C16H21NO/c18-16(15-7-4-8-15)17-10-9-14(12-17)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2
InChIKeyDYLAWEBKCIOOKC-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97133116
[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone
CID 124777626
(2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride
CID 119725013
cis-(1R,2S)-2-[(3R)-3-benzylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131885
1-(3-benzylpyrrolidin-1-yl)-2-chloroethanone
CID 166404042
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
4-[[(3R)-1-(1,1-dioxothiane-4-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95889126
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one
CID 136514886
(4-benzylpiperidin-1-yl)-[(3R)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-3-yl]methanone
CID 29056396
(4-benzylpiperidin-1-yl)-[(3R)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-3-yl]methanone
CID 29056402
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151

Frequently Asked Questions

What is the IUPAC name of (3-benzylpyrrolidin-1-yl)-cyclobutylmethanone?
The IUPAC name of (3-benzylpyrrolidin-1-yl)-cyclobutylmethanone (CID 110874334) is (3-benzylpyrrolidin-1-yl)-cyclobutylmethanone.
What is the SMILES notation for (3-benzylpyrrolidin-1-yl)-cyclobutylmethanone?
The canonical SMILES for (3-benzylpyrrolidin-1-yl)-cyclobutylmethanone is O=C(C1CCC1)N1CCC(Cc2ccccc2)C1.
What is the InChIKey of (3-benzylpyrrolidin-1-yl)-cyclobutylmethanone?
The InChIKey is DYLAWEBKCIOOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16(15-7-4-8-15)17-10-9-14(12-17)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2.
What are the key properties of (3-benzylpyrrolidin-1-yl)-cyclobutylmethanone?
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone has a molecular weight of 243.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpyrrolidin-1-yl)-cyclobutylmethanone is sourced from PubChem (CID 110874334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).