(2R)-2-pyren-1-ylazetidine;hydrochloride

C19H16ClN — CID 171197548

IUPAC(2R)-2-pyren-1-ylazetidine;hydrochloride
SMILESCl.c1cc2ccc3ccc([C@H]4CCN4)c4ccc(c1)c2c34
InChIInChI=1S/C19H15N.ClH/c1-2-12-4-5-14-6-8-15(17-10-11-20-17)16-9-7-13(3-1)18(12)19(14)16;/h1-9,17,20H,10-11H2;1H/t17-;/m1./s1
InChIKeyQFLLQMXZAWNBLV-UNTBIKODSA-N
MW293.80 g/mol
LogP5.04
Rot. Bonds1

About (2R)-2-pyren-1-ylazetidine;hydrochloride

(2R)-2-pyren-1-ylazetidine;hydrochloride (PubChem CID 171197548) has the molecular formula C19H16ClN and a molecular weight of 293.80 g/mol. Its IUPAC name is (2R)-2-pyren-1-ylazetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-pyren-1-ylazetidine;hydrochloride
PubChem CID171197548
Molecular FormulaC19H16ClN
Molecular Weight293.80 g/mol
Exact Mass293.10
IUPAC Name(2R)-2-pyren-1-ylazetidine;hydrochloride
SMILESCl.c1cc2ccc3ccc([C@H]4CCN4)c4ccc(c1)c2c34
InChIInChI=1S/C19H15N.ClH/c1-2-12-4-5-14-6-8-15(17-10-11-20-17)16-9-7-13(3-1)18(12)19(14)16;/h1-9,17,20H,10-11H2;1H/t17-;/m1./s1
InChIKeyQFLLQMXZAWNBLV-UNTBIKODSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.80
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-pyren-1-ylazetidine;hydrochloride?
The IUPAC name of (2R)-2-pyren-1-ylazetidine;hydrochloride (CID 171197548) is (2R)-2-pyren-1-ylazetidine;hydrochloride.
What is the SMILES notation for (2R)-2-pyren-1-ylazetidine;hydrochloride?
The canonical SMILES for (2R)-2-pyren-1-ylazetidine;hydrochloride is Cl.c1cc2ccc3ccc([C@H]4CCN4)c4ccc(c1)c2c34.
What is the InChIKey of (2R)-2-pyren-1-ylazetidine;hydrochloride?
The InChIKey is QFLLQMXZAWNBLV-UNTBIKODSA-N. The full InChI is InChI=1S/C19H15N.ClH/c1-2-12-4-5-14-6-8-15(17-10-11-20-17)16-9-7-13(3-1)18(12)19(14)16;/h1-9,17,20H,10-11H2;1H/t17-;/m1./s1.
What are the key properties of (2R)-2-pyren-1-ylazetidine;hydrochloride?
(2R)-2-pyren-1-ylazetidine;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 5.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pyren-1-ylazetidine;hydrochloride is sourced from PubChem (CID 171197548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).