1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one

C16H31NO2 — CID 79547123

IUPAC1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCCC1CC(C)O
InChIInChI=1S/C16H31NO2/c1-3-4-5-6-7-8-11-16(19)17-12-9-10-15(17)13-14(2)18/h14-15,18H,3-13H2,1-2H3
InChIKeyKSCRNPLGIWBXDI-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.50
Rot. Bonds9

About 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one

1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one (PubChem CID 79547123) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one
PubChem CID79547123
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCCC1CC(C)O
InChIInChI=1S/C16H31NO2/c1-3-4-5-6-7-8-11-16(19)17-12-9-10-15(17)13-14(2)18/h14-15,18H,3-13H2,1-2H3
InChIKeyKSCRNPLGIWBXDI-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
CID 79536446
1-[2-(2-bromopropyl)pyrrolidin-1-yl]octan-1-one
CID 112748469
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 79546453
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[2-(2-oxopropyl)pyrrolidin-1-yl]hexan-1-one
CID 79540345
1-[2-(bromomethyl)pyrrolidin-1-yl]hexan-1-one
CID 80678062
1-[2-(2-aminoethyl)pyrrolidin-1-yl]heptan-1-one
CID 90749675
1-[2-(chloromethyl)piperidin-1-yl]octan-1-one
CID 63395144
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
ethane;1-[2-(ethoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 156738237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one?
The IUPAC name of 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one (CID 79547123) is 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one?
The canonical SMILES for 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one is CCCCCCCCC(=O)N1CCCC1CC(C)O.
What is the InChIKey of 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one?
The InChIKey is KSCRNPLGIWBXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-4-5-6-7-8-11-16(19)17-12-9-10-15(17)13-14(2)18/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one?
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one has a molecular weight of 269.43 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one is sourced from PubChem (CID 79547123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).