11-phenyl-1-pyrrolidin-1-ylundecan-1-one

C21H33NO — CID 10805309

IUPAC11-phenyl-1-pyrrolidin-1-ylundecan-1-one
SMILESO=C(CCCCCCCCCCc1ccccc1)N1CCCC1
InChIInChI=1S/C21H33NO/c23-21(22-18-12-13-19-22)17-11-6-4-2-1-3-5-8-14-20-15-9-7-10-16-20/h7,9-10,15-16H,1-6,8,11-14,17-19H2
InChIKeyFTQVMDJOQBRGSY-UHFFFAOYSA-N
MW315.50 g/mol
LogP5.36
Rot. Bonds11

About 11-phenyl-1-pyrrolidin-1-ylundecan-1-one

11-phenyl-1-pyrrolidin-1-ylundecan-1-one (PubChem CID 10805309) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 11-phenyl-1-pyrrolidin-1-ylundecan-1-one.

Molecular Properties

Compound Name11-phenyl-1-pyrrolidin-1-ylundecan-1-one
PubChem CID10805309
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name11-phenyl-1-pyrrolidin-1-ylundecan-1-one
SMILESO=C(CCCCCCCCCCc1ccccc1)N1CCCC1
InChIInChI=1S/C21H33NO/c23-21(22-18-12-13-19-22)17-11-6-4-2-1-3-5-8-14-20-15-9-7-10-16-20/h7,9-10,15-16H,1-6,8,11-14,17-19H2
InChIKeyFTQVMDJOQBRGSY-UHFFFAOYSA-N
XLogP5.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
CID 11794613
7-(3-methylphenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155528442
4-(2-phenylethoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 87010718
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one
CID 146255651
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155511120
1-[4-(cyclopent-3-ene-1-carbonyl)-1,4-diazepan-1-yl]-4-phenylbutan-1-one
CID 137336213
2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone
CID 114333519

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-1-pyrrolidin-1-ylundecan-1-one?
The IUPAC name of 11-phenyl-1-pyrrolidin-1-ylundecan-1-one (CID 10805309) is 11-phenyl-1-pyrrolidin-1-ylundecan-1-one.
What is the SMILES notation for 11-phenyl-1-pyrrolidin-1-ylundecan-1-one?
The canonical SMILES for 11-phenyl-1-pyrrolidin-1-ylundecan-1-one is O=C(CCCCCCCCCCc1ccccc1)N1CCCC1.
What is the InChIKey of 11-phenyl-1-pyrrolidin-1-ylundecan-1-one?
The InChIKey is FTQVMDJOQBRGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c23-21(22-18-12-13-19-22)17-11-6-4-2-1-3-5-8-14-20-15-9-7-10-16-20/h7,9-10,15-16H,1-6,8,11-14,17-19H2.
What are the key properties of 11-phenyl-1-pyrrolidin-1-ylundecan-1-one?
11-phenyl-1-pyrrolidin-1-ylundecan-1-one has a molecular weight of 315.50 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-1-pyrrolidin-1-ylundecan-1-one is sourced from PubChem (CID 10805309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).