2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate

C14H25NO3 — CID 3046846

IUPAC2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate
SMILESO=C(OCCN1CCCC1)C1(O)CCCCCC1
InChIInChI=1S/C14H25NO3/c16-13(14(17)7-3-1-2-4-8-14)18-12-11-15-9-5-6-10-15/h17H,1-12H2
InChIKeyVIQYAFLZFGNJIO-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.71
Rot. Bonds4

About 2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate

2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate (PubChem CID 3046846) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate
PubChem CID3046846
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate
SMILESO=C(OCCN1CCCC1)C1(O)CCCCCC1
InChIInChI=1S/C14H25NO3/c16-13(14(17)7-3-1-2-4-8-14)18-12-11-15-9-5-6-10-15/h17H,1-12H2
InChIKeyVIQYAFLZFGNJIO-UHFFFAOYSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate (CID 3046846) is 2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate is O=C(OCCN1CCCC1)C1(O)CCCCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate?
The InChIKey is VIQYAFLZFGNJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c16-13(14(17)7-3-1-2-4-8-14)18-12-11-15-9-5-6-10-15/h17H,1-12H2.
What are the key properties of 2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate?
2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate is sourced from PubChem (CID 3046846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).