1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one

C11H21NO2 — CID 62371123

IUPAC1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCC(CO)C1
InChIInChI=1S/C11H21NO2/c1-2-3-4-5-11(14)12-7-6-10(8-12)9-13/h10,13H,2-9H2,1H3
InChIKeyUNRZDXSSEZWKMQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.41
Rot. Bonds5

About 1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one

1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one (PubChem CID 62371123) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
PubChem CID62371123
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCC(CO)C1
InChIInChI=1S/C11H21NO2/c1-2-3-4-5-11(14)12-7-6-10(8-12)9-13/h10,13H,2-9H2,1H3
InChIKeyUNRZDXSSEZWKMQ-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.41
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-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
1-[3-(2-bromoethyl)pyrrolidin-1-yl]heptan-1-one
CID 114801413
1-[3-(2-chloroethyl)pyrrolidin-1-yl]dodecan-1-one
CID 114801182
1-[3-(bromomethyl)pyrrolidin-1-yl]pentan-1-one
CID 80668318
1-(3-chloropyrrolidin-1-yl)hexan-1-one
CID 63394452
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
3-chloro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 112624806
4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129393375
1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 62356771
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-one
CID 81483444

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one?
The IUPAC name of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one (CID 62371123) is 1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for 1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one is CCCCCC(=O)N1CCC(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one?
The InChIKey is UNRZDXSSEZWKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-4-5-11(14)12-7-6-10(8-12)9-13/h10,13H,2-9H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one?
1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 62371123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).