(3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride

C16H19ClN2O — CID 118708373

IUPAC(3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride
SMILESC[C@H]1NCCCN(c2ccc3ccccc3c2)C1=O.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-12-16(19)18(10-4-9-17-12)15-8-7-13-5-2-3-6-14(13)11-15;/h2-3,5-8,11-12,17H,4,9-10H2,1H3;1H/t12-;/m1./s1
InChIKeyXJTZQDVYMGLFOP-UTONKHPSSA-N
MW290.79 g/mol
LogP2.98
Rot. Bonds1

About (3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride

(3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride (PubChem CID 118708373) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is (3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride.

Molecular Properties

Compound Name(3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride
PubChem CID118708373
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name(3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride
SMILESC[C@H]1NCCCN(c2ccc3ccccc3c2)C1=O.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-12-16(19)18(10-4-9-17-12)15-8-7-13-5-2-3-6-14(13)11-15;/h2-3,5-8,11-12,17H,4,9-10H2,1H3;1H/t12-;/m1./s1
InChIKeyXJTZQDVYMGLFOP-UTONKHPSSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride?
The IUPAC name of (3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride (CID 118708373) is (3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride.
What is the SMILES notation for (3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride?
The canonical SMILES for (3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride is C[C@H]1NCCCN(c2ccc3ccccc3c2)C1=O.Cl.
What is the InChIKey of (3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride?
The InChIKey is XJTZQDVYMGLFOP-UTONKHPSSA-N. The full InChI is InChI=1S/C16H18N2O.ClH/c1-12-16(19)18(10-4-9-17-12)15-8-7-13-5-2-3-6-14(13)11-15;/h2-3,5-8,11-12,17H,4,9-10H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride?
(3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride is sourced from PubChem (CID 118708373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).