2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one

C14H25NO2 — CID 62468063

IUPAC2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one
SMILESO=C1CCCCCC1N1CCCC1CCCO
InChIInChI=1S/C14H25NO2/c16-11-5-7-12-6-4-10-15(12)13-8-2-1-3-9-14(13)17/h12-13,16H,1-11H2
InChIKeyFJSQNMPDJDRPDS-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.13
Rot. Bonds4

About 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one (PubChem CID 62468063) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one
PubChem CID62468063
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one
SMILESO=C1CCCCCC1N1CCCC1CCCO
InChIInChI=1S/C14H25NO2/c16-11-5-7-12-6-4-10-15(12)13-8-2-1-3-9-14(13)17/h12-13,16H,1-11H2
InChIKeyFJSQNMPDJDRPDS-UHFFFAOYSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one (CID 62468063) is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one is O=C1CCCCCC1N1CCCC1CCCO.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one?
The InChIKey is FJSQNMPDJDRPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-11-5-7-12-6-4-10-15(12)13-8-2-1-3-9-14(13)17/h12-13,16H,1-11H2.
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one?
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cycloheptan-1-one is sourced from PubChem (CID 62468063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).