(3S)-3-phenylmethoxypyrrolidine;hydrochloride

C11H16ClNO — CID 44890870

IUPAC(3S)-3-phenylmethoxypyrrolidine;hydrochloride
SMILESCl.c1ccc(CO[C@H]2CCNC2)cc1
InChIInChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11;/h1-5,11-12H,6-9H2;1H/t11-;/m0./s1
InChIKeyHIPRPABXTKKPPY-MERQFXBCSA-N
MW213.71 g/mol
LogP1.99
Rot. Bonds3

About (3S)-3-phenylmethoxypyrrolidine;hydrochloride

(3S)-3-phenylmethoxypyrrolidine;hydrochloride (PubChem CID 44890870) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (3S)-3-phenylmethoxypyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-phenylmethoxypyrrolidine;hydrochloride
PubChem CID44890870
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(3S)-3-phenylmethoxypyrrolidine;hydrochloride
SMILESCl.c1ccc(CO[C@H]2CCNC2)cc1
InChIInChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11;/h1-5,11-12H,6-9H2;1H/t11-;/m0./s1
InChIKeyHIPRPABXTKKPPY-MERQFXBCSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenylmethoxypyrrolidine;hydrochloride?
The IUPAC name of (3S)-3-phenylmethoxypyrrolidine;hydrochloride (CID 44890870) is (3S)-3-phenylmethoxypyrrolidine;hydrochloride.
What is the SMILES notation for (3S)-3-phenylmethoxypyrrolidine;hydrochloride?
The canonical SMILES for (3S)-3-phenylmethoxypyrrolidine;hydrochloride is Cl.c1ccc(CO[C@H]2CCNC2)cc1.
What is the InChIKey of (3S)-3-phenylmethoxypyrrolidine;hydrochloride?
The InChIKey is HIPRPABXTKKPPY-MERQFXBCSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11;/h1-5,11-12H,6-9H2;1H/t11-;/m0./s1.
What are the key properties of (3S)-3-phenylmethoxypyrrolidine;hydrochloride?
(3S)-3-phenylmethoxypyrrolidine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenylmethoxypyrrolidine;hydrochloride is sourced from PubChem (CID 44890870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).