(5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride

C16H21ClN2O — CID 155836199

IUPAC(5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
SMILESC=CCN1CC[C@@]2(CNC[C@@H]2c2ccccc2)C1=O.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-2-9-18-10-8-16(15(18)19)12-17-11-14(16)13-6-4-3-5-7-13;/h2-7,14,17H,1,8-12H2;1H/t14-,16+;/m1./s1
InChIKeyFFJIJQVITYMWOU-XMZRARIVSA-N
MW292.81 g/mol
LogP2.20
Rot. Bonds3

About (5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride

(5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride (PubChem CID 155836199) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is (5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride.

Molecular Properties

Compound Name(5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
PubChem CID155836199
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name(5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
SMILESC=CCN1CC[C@@]2(CNC[C@@H]2c2ccccc2)C1=O.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-2-9-18-10-8-16(15(18)19)12-17-11-14(16)13-6-4-3-5-7-13;/h2-7,14,17H,1,8-12H2;1H/t14-,16+;/m1./s1
InChIKeyFFJIJQVITYMWOU-XMZRARIVSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride?
The IUPAC name of (5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride (CID 155836199) is (5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride.
What is the SMILES notation for (5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride?
The canonical SMILES for (5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride is C=CCN1CC[C@@]2(CNC[C@@H]2c2ccccc2)C1=O.Cl.
What is the InChIKey of (5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride?
The InChIKey is FFJIJQVITYMWOU-XMZRARIVSA-N. The full InChI is InChI=1S/C16H20N2O.ClH/c1-2-9-18-10-8-16(15(18)19)12-17-11-14(16)13-6-4-3-5-7-13;/h2-7,14,17H,1,8-12H2;1H/t14-,16+;/m1./s1.
What are the key properties of (5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride?
(5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride is sourced from PubChem (CID 155836199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).